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. : | 1072806-60-0 | MDL No. : | MFCD08437648 |
Formula : | C4H7ClN2O | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | AFADDGJWYGIXSB-UHFFFAOYSA-N |
M.W : | 134.56 | Pubchem ID : | 45790028 |
Synonyms : |
|
Num. heavy atoms : | 8 |
Num. arom. heavy atoms : | 5 |
Fraction Csp3 : | 0.25 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 31.14 |
TPSA : | 52.05 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) : | -7.1 cm/s |
Log Po/w (iLOGP) : | 0.0 |
Log Po/w (XLOGP3) : | 0.03 |
Log Po/w (WLOGP) : | 0.78 |
Log Po/w (MLOGP) : | -0.94 |
Log Po/w (SILICOS-IT) : | 0.53 |
Consensus Log Po/w : | 0.08 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -1.09 |
Solubility : | 10.9 mg/ml ; 0.0813 mol/l |
Class : | Very soluble |
Log S (Ali) : | -0.68 |
Solubility : | 28.4 mg/ml ; 0.211 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -1.2 |
Solubility : | 8.45 mg/ml ; 0.0628 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.92 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319 | Packing Group: | N/A |
GHS Pictogram: |
[ 1646152-51-3 ]
Bis(oxazol-4-ylmethyl)amine hydrochloride
Similarity: 0.91
[ 1065073-45-1 ]
(2-Methyloxazol-4-yl)methanamine
Similarity: 0.81
[ 1196156-45-2 ]
Oxazol-5-ylmethanamine hydrochloride
Similarity: 0.64
[ 1646152-51-3 ]
Bis(oxazol-4-ylmethyl)amine hydrochloride
Similarity: 0.91
[ 1065073-45-1 ]
(2-Methyloxazol-4-yl)methanamine
Similarity: 0.81