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. : | 202273-25-4 | MDL No. : | MFCD11044719 |
Formula : | C7H4ClN3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | OGOPAVRSPJYRLS-UHFFFAOYSA-N |
M.W : | 165.58 | Pubchem ID : | 22727455 |
Synonyms : |
|
Num. heavy atoms : | 11 |
Num. arom. heavy atoms : | 10 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 0 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 42.34 |
TPSA : | 38.67 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -6.29 cm/s |
Log Po/w (iLOGP) : | 1.57 |
Log Po/w (XLOGP3) : | 1.43 |
Log Po/w (WLOGP) : | 1.68 |
Log Po/w (MLOGP) : | 0.4 |
Log Po/w (SILICOS-IT) : | 2.12 |
Consensus Log Po/w : | 1.44 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.44 |
Solubility : | 0.601 mg/ml ; 0.00363 mol/l |
Class : | Soluble |
Log S (Ali) : | -1.85 |
Solubility : | 2.35 mg/ml ; 0.0142 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -3.56 |
Solubility : | 0.0453 mg/ml ; 0.000274 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.57 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P280-P301+P312-P302+P352-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H320-H335 | Packing Group: | N/A |
GHS Pictogram: |
[ 1429782-21-7 ]
4-Chloro-2,6-dimethylquinazoline
Similarity: 0.74
[ 1127-85-1 ]
2,4-Dichloro-5,6,7,8-tetrahydroquinazoline
Similarity: 0.73
[ 1127-85-1 ]
2,4-Dichloro-5,6,7,8-tetrahydroquinazoline
Similarity: 0.73
[ 1352397-22-8 ]
6-Chloro-4-methyl-1H-pyrrolo[3,2-c]pyridine
Similarity: 0.67
[ 1030377-43-5 ]
2-Chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine
Similarity: 0.67
[ 192869-80-0 ]
7-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
Similarity: 0.63