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. : | 7704-72-5 | MDL No. : | MFCD00039096 |
Formula : | C4H4O4.xK | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | - | Pubchem ID : | - |
Synonyms : |
|
Num. heavy atoms : | 9 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 24.41 |
TPSA : | 74.6 Ų |
GI absorption : | High |
BBB permeant : | No |
P-gp substrate : | Yes |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -7.49 cm/s |
Log Po/w (iLOGP) : | -6.13 |
Log Po/w (XLOGP3) : | -0.34 |
Log Po/w (WLOGP) : | -0.29 |
Log Po/w (MLOGP) : | -0.64 |
Log Po/w (SILICOS-IT) : | -0.81 |
Consensus Log Po/w : | -1.64 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.56 |
Log S (ESOL) : | -0.46 |
Solubility : | 54.3 mg/ml ; 0.35 mol/l |
Class : | Very soluble |
Log S (Ali) : | -0.76 |
Solubility : | 26.7 mg/ml ; 0.172 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | 1.34 |
Solubility : | 3370.0 mg/ml ; 21.7 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.09 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
[ 24634-61-5 ]
Potassium (2E,4E)-hexa-2,4-dienoate
Similarity: 0.90
[ 1119-72-8 ]
(2Z,4Z)-Hexa-2,4-dienedioic acid
Similarity: 0.85
[ 7492-55-9 ]
Calcium (2E,4E)-hexa-2,4-dienoate
Similarity: 0.81
[ 24634-61-5 ]
Potassium (2E,4E)-hexa-2,4-dienoate
Similarity: 0.90
[ 1119-72-8 ]
(2Z,4Z)-Hexa-2,4-dienedioic acid
Similarity: 0.85
[ 7492-55-9 ]
Calcium (2E,4E)-hexa-2,4-dienoate
Similarity: 0.81