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. : | 74603-22-8 | MDL No. : | MFCD11172903 |
Formula : | C10H18O2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | GLCIYJYIWHJAEJ-UHFFFAOYSA-N |
M.W : | 170.25 | Pubchem ID : | 18458375 |
Synonyms : |
|
Num. heavy atoms : | 12 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 0.9 |
Num. rotatable bonds : | 3 |
Num. H-bond acceptors : | 2.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 49.84 |
TPSA : | 37.3 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -5.02 cm/s |
Log Po/w (iLOGP) : | 2.12 |
Log Po/w (XLOGP3) : | 3.26 |
Log Po/w (WLOGP) : | 2.68 |
Log Po/w (MLOGP) : | 2.19 |
Log Po/w (SILICOS-IT) : | 2.05 |
Consensus Log Po/w : | 2.46 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.56 |
Log S (ESOL) : | -2.75 |
Solubility : | 0.302 mg/ml ; 0.00177 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.72 |
Solubility : | 0.0326 mg/ml ; 0.000192 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -1.65 |
Solubility : | 3.8 mg/ml ; 0.0223 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.41 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 | UN#: | N/A |
Hazard Statements: | H315-H319 | Packing Group: | N/A |
GHS Pictogram: |
[ 6603-71-0 ]
2-(4-Methylcyclohexyl)acetic acid
Similarity: 1.00
[ 74603-16-0 ]
2-(4-Pentylcyclohexyl)acetic acid
Similarity: 1.00
[ 6603-71-0 ]
2-(4-Methylcyclohexyl)acetic acid
Similarity: 1.00
[ 74603-16-0 ]
2-(4-Pentylcyclohexyl)acetic acid
Similarity: 1.00