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. : | 39786-40-8 | MDL No. : | MFCD01202941 |
Formula : | C11H7ClN2O | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | GXGXMTZNONDUMY-UHFFFAOYSA-N |
M.W : | 218.64 | Pubchem ID : | 603361 |
Synonyms : |
|
Num. heavy atoms : | 15 |
Num. arom. heavy atoms : | 13 |
Fraction Csp3 : | 0.09 |
Num. rotatable bonds : | 0 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 59.29 |
TPSA : | 38.92 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 : | Yes |
Log Kp (skin permeation) : | -5.23 cm/s |
Log Po/w (iLOGP) : | 2.7 |
Log Po/w (XLOGP3) : | 3.39 |
Log Po/w (WLOGP) : | 3.34 |
Log Po/w (MLOGP) : | 1.96 |
Log Po/w (SILICOS-IT) : | 3.46 |
Consensus Log Po/w : | 2.97 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -3.97 |
Solubility : | 0.0233 mg/ml ; 0.000107 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.89 |
Solubility : | 0.0284 mg/ml ; 0.00013 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -5.23 |
Solubility : | 0.00129 mg/ml ; 0.00000592 mol/l |
Class : | Moderately soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.54 |
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: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
[ 60395-90-6 ]
4-Chloro-6-methoxy-2-methylquinazoline
Similarity: 0.73
[ 50377-49-6 ]
4-Chloro-6,7-dimethoxy-2-methylquinazoline
Similarity: 0.72
[ 219773-96-3 ]
4-Chloro-5-methoxy-2-(trifluoromethyl)quinazoline
Similarity: 0.70
[ 884340-91-4 ]
4-Chloro-5,7-dimethoxyquinazoline
Similarity: 0.68
[ 61948-60-5 ]
2,4-Dichloro-8-methoxyquinazoline
Similarity: 0.68
[ 848398-41-4 ]
2,4-Dichloro-5,7-dihydrofuro[3,4-d]pyrimidine
Similarity: 0.62
[ 1260088-72-9 ]
2,4-Dichloro-7,7-dimethyl-5,7-dihydrofuro[3,4-d]pyrimidine
Similarity: 0.59
[ 95331-56-9 ]
4-(Oxazolo[4,5-b]pyridin-2-yl)aniline
Similarity: 0.56
[ 15783-48-9 ]
2,4-Dichlorofuro[3,4-d]pyrimidin-7(5H)-one
Similarity: 0.55
[ 39876-88-5 ]
4-Chlorobenzofuro[3,2-d]pyrimidine
Similarity: 0.54