Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
{[ item.p_purity ]} | {[ item.pr_size ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} | Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]} | {[ item.pr_usastock ]} | Inquiry - | {[ item.pr_chinastock ]} | Inquiry - |
* Storage: {[proInfo.prStorage]}
CAS No. : | 354112-08-6 | MDL No. : | MFCD10566080 |
Formula : | C14H20ClN3O4 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | LTXDXOMHOOIKAB-UHFFFAOYSA-N |
M.W : | 329.78 | Pubchem ID : | 45790082 |
Synonyms : |
|
Num. heavy atoms : | 22 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.57 |
Num. rotatable bonds : | 7 |
Num. H-bond acceptors : | 6.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 83.13 |
TPSA : | 81.62 Ų |
GI absorption : | High |
BBB permeant : | No |
P-gp substrate : | No |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | Yes |
CYP2C9 inhibitor : | Yes |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -5.89 cm/s |
Log Po/w (iLOGP) : | 3.42 |
Log Po/w (XLOGP3) : | 3.41 |
Log Po/w (WLOGP) : | 3.81 |
Log Po/w (MLOGP) : | 1.56 |
Log Po/w (SILICOS-IT) : | 1.57 |
Consensus Log Po/w : | 2.75 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -3.77 |
Solubility : | 0.0557 mg/ml ; 0.000169 mol/l |
Class : | Soluble |
Log S (Ali) : | -4.8 |
Solubility : | 0.00518 mg/ml ; 0.0000157 mol/l |
Class : | Moderately soluble |
Log S (SILICOS-IT) : | -3.38 |
Solubility : | 0.138 mg/ml ; 0.000419 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 0.0 |
Synthetic accessibility : | 2.76 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P280 | UN#: | N/A |
Hazard Statements: | H302-H317 | Packing Group: | N/A |
GHS Pictogram: |
[ 234108-73-7 ]
tert-Butyl 2-chloropyridine-4-carbamate
Similarity: 0.59
[ 1053657-15-0 ]
tert-Butyl 4-chloro-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
Similarity: 0.57
[ 1053656-57-7 ]
tert-Butyl 4-chloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate
Similarity: 0.56
[ 1400589-53-8 ]
(R)-tert-Butyl 2-((7-chloropyrido[4,3-b]pyrazin-5-ylamino)methyl)morpholine-4-carboxylate
Similarity: 0.56
[ 370864-66-7 ]
tert-Butyl (2-chloro-3-methylpyridin-4-yl)carbamate
Similarity: 0.55
[ 309947-86-2 ]
tert-Butyl N-tert-butoxycarbonyl-N-(7H-purin-6-yl)carbamate
Similarity: 0.65
[ 234108-73-7 ]
tert-Butyl 2-chloropyridine-4-carbamate
Similarity: 0.59
[ 1001180-21-7 ]
(R)-tert-Butyl 4-(5-methyl-7-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylate
Similarity: 0.59
[ 1053657-15-0 ]
tert-Butyl 4-chloro-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
Similarity: 0.57
[ 883231-20-7 ]
(6-((tert-Butoxycarbonyl)amino)pyridin-3-yl)boronic acid
Similarity: 0.56
[ 309947-86-2 ]
tert-Butyl N-tert-butoxycarbonyl-N-(7H-purin-6-yl)carbamate
Similarity: 0.65
[ 234108-73-7 ]
tert-Butyl 2-chloropyridine-4-carbamate
Similarity: 0.59
[ 883231-20-7 ]
(6-((tert-Butoxycarbonyl)amino)pyridin-3-yl)boronic acid
Similarity: 0.56
[ 1400589-53-8 ]
(R)-tert-Butyl 2-((7-chloropyrido[4,3-b]pyrazin-5-ylamino)methyl)morpholine-4-carboxylate
Similarity: 0.56
[ 883231-23-0 ]
N-Boc-2-Amino-5-bromopyrimidine
Similarity: 0.56
[ 634468-96-5 ]
tert-Butyl 4-(pyrimidin-5-yl)piperazine-1-carboxylate
Similarity: 0.56
[ 883231-23-0 ]
N-Boc-2-Amino-5-bromopyrimidine
Similarity: 0.56
[ 374930-88-8 ]
tert-Butyl 4-(5-bromopyrimidin-2-yl)piperazine-1-carboxylate
Similarity: 0.54
[ 883231-25-2 ]
(2-((tert-Butoxycarbonyl)amino)pyrimidin-5-yl)boronic acid
Similarity: 0.54
[ 221050-89-1 ]
tert-Butyl 4-(pyrimidin-4-yl)piperazine-1-carboxylate
Similarity: 0.53