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. : | 893423-62-6 | MDL No. : | MFCD16659013 |
Formula : | C11H13ClN2O3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | YNHFPXDHWTUUCL-UHFFFAOYSA-N |
M.W : | 256.69 | Pubchem ID : | 52987944 |
Synonyms : |
|
Num. heavy atoms : | 17 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.36 |
Num. rotatable bonds : | 5 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 64.88 |
TPSA : | 68.29 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | Yes |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -6.17 cm/s |
Log Po/w (iLOGP) : | 1.99 |
Log Po/w (XLOGP3) : | 2.39 |
Log Po/w (WLOGP) : | 2.7 |
Log Po/w (MLOGP) : | 0.76 |
Log Po/w (SILICOS-IT) : | 2.02 |
Consensus Log Po/w : | 1.97 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.87 |
Solubility : | 0.348 mg/ml ; 0.00135 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.47 |
Solubility : | 0.0879 mg/ml ; 0.000342 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -3.54 |
Solubility : | 0.0732 mg/ml ; 0.000285 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 2.0 alert |
Leadlikeness : | 0.0 |
Synthetic accessibility : | 2.25 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302 | 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.
[ 171178-45-3 ]
tert-Butyl (6-chloropyridin-3-yl)carbamate
Similarity: 0.76
[ 501907-61-5 ]
tert-Butyl (2,6-dichloropyridin-4-yl)carbamate
Similarity: 0.76
[ 1640995-60-3 ]
tert-Butyl ((6-chloropyridin-2-yl)methyl)carbamate
Similarity: 0.71
[ 1352534-35-0 ]
tert-Butyl 2-(6-chloropyridin-3-yl)pyrrolidine-1-carboxylate
Similarity: 0.69
[ 1018678-38-0 ]
4-Amino-2-chloronicotinic acid
Similarity: 0.69
[ 116026-93-8 ]
tert-Butyl (3-formylpyridin-4-yl)carbamate
Similarity: 0.73
[ 116026-95-0 ]
tert-Butyl (4-formylpyridin-3-yl)carbamate
Similarity: 0.71
[ 199296-40-7 ]
tert-Butyl (5-formylpyridin-2-yl)carbamate
Similarity: 0.66
[ 1000341-64-9 ]
6-Chloro-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde
Similarity: 0.64
[ 868736-42-9 ]
tert-Butyl (4-chloro-3-formylpyridin-2-yl)carbamate
Similarity: 0.63
[ 171178-34-0 ]
4-((tert-Butoxycarbonyl)amino)nicotinic acid
Similarity: 0.80
[ 171178-45-3 ]
tert-Butyl (6-chloropyridin-3-yl)carbamate
Similarity: 0.76
[ 501907-61-5 ]
tert-Butyl (2,6-dichloropyridin-4-yl)carbamate
Similarity: 0.76
[ 116026-93-8 ]
tert-Butyl (3-formylpyridin-4-yl)carbamate
Similarity: 0.73
[ 1640995-60-3 ]
tert-Butyl ((6-chloropyridin-2-yl)methyl)carbamate
Similarity: 0.71
[ 171178-34-0 ]
4-((tert-Butoxycarbonyl)amino)nicotinic acid
Similarity: 0.80
[ 171178-45-3 ]
tert-Butyl (6-chloropyridin-3-yl)carbamate
Similarity: 0.76
[ 501907-61-5 ]
tert-Butyl (2,6-dichloropyridin-4-yl)carbamate
Similarity: 0.76
[ 116026-93-8 ]
tert-Butyl (3-formylpyridin-4-yl)carbamate
Similarity: 0.73
[ 1640995-60-3 ]
tert-Butyl ((6-chloropyridin-2-yl)methyl)carbamate
Similarity: 0.71
[ 171178-34-0 ]
4-((tert-Butoxycarbonyl)amino)nicotinic acid
Similarity: 0.80
[ 171178-45-3 ]
tert-Butyl (6-chloropyridin-3-yl)carbamate
Similarity: 0.76
[ 501907-61-5 ]
tert-Butyl (2,6-dichloropyridin-4-yl)carbamate
Similarity: 0.76
[ 116026-93-8 ]
tert-Butyl (3-formylpyridin-4-yl)carbamate
Similarity: 0.73
[ 1640995-60-3 ]
tert-Butyl ((6-chloropyridin-2-yl)methyl)carbamate
Similarity: 0.71