![3-(4-(6-Chlorobenzo[d]thiazol-2-yl)-1,4-diazepane-1-carbonyl)pyrazine-2-carboxylic acid structure](/static/products/6858/685829-92-9.webp)
3-(4-(6-Chlorobenzo[d]thiazol-2-yl)-1,4-diazepane-1-carbonyl)pyrazine-2-carboxylic acid
TL;DR: 3-(4-(6-Chlorobenzo[d]thiazol-2-yl)-1,4-diazepane-1-carbonyl)pyrazine-2-carboxylic acid (CAS 685829-92-9) is a chemical compound with molecular formula C18H16ClN5O3S and molecular weight 417.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carbonyl]pyrazine-2-carboxylic acid
Also Known As: 3-(4-(6-Chlorobenzo[d]thiazol-2-yl)-1,4-diazepane-1-carbonyl)pyrazine-2-carboxylic acid, 3-[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carbonyl]pyrazine-2-carboxylic acid, 3-[4-(6-chlorobenzothiazol-2-yl)1,4-diazepane-1-carbonyl]pyrazine-2-carboxylic Acid, 3-{[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]carbonyl}pyrazine-2-carboxylic acid
| Molecular Formula | C18H16ClN5O3S |
|---|---|
| Molecular Weight | 417.07 g/mol |
| LogP | 2.7904 |
| Topological Polar Surface Area | 99.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.06622 |
| Heavy Atoms | 28 |
| Complexity | 1056.6321 |
Chemical Identifiers
| CAS Number | 685829-92-9 |
|---|---|
| SMILES | C1CN(CCN(C1)C(=O)C2=NC=CN=C2C(=O)O)C3=NC4=C(S3)C=C(C=C4)Cl |
Product Overview
3-(4-(6-Chlorobenzo[d]thiazol-2-yl)-1,4-diazepane-1-carbonyl)pyrazine-2-carboxylic acid (CAS 685829-92-9), with molecular formula C18H16ClN5O3S and molecular weight 417.07 g/mol. IUPAC: 3-[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carbonyl]pyrazine-2-carboxylic acid.
Chemical Property Profile of 3-(4-(6-Chlorobenzo[d]thiazol-2-yl)-1,4-diazepane-1-carbonyl)pyrazine-2-carboxylic acid
Property Insights of 3-(4-(6-Chlorobenzo[d]thiazol-2-yl)-1,4-diazepane-1-carbonyl)pyrazine-2-carboxylic acid
The XLogP value of 2.7904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-(6-Chlorobenzo[d]thiazol-2-yl)-1,4-diazepane-1-carbonyl)pyrazine-2-carboxylic acid. The TPSA of 99.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-(6-Chlorobenzo[d]thiazol-2-yl)-1,4-diazepane-1-carbonyl)pyrazine-2-carboxylic acid. Following Lipinski's Rule of Five, 3-(4-(6-Chlorobenzo[d]thiazol-2-yl)-1,4-diazepane-1-carbonyl)pyrazine-2-carboxylic acid has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-(6-Chlorobenzo[d]thiazol-2-yl)-1,4-diazepane-1-carbonyl)pyrazine-2-carboxylic acid?
The CAS number of 3-(4-(6-Chlorobenzo[d]thiazol-2-yl)-1,4-diazepane-1-carbonyl)pyrazine-2-carboxylic acid is 685829-92-9.
What is the molecular formula of 3-(4-(6-Chlorobenzo[d]thiazol-2-yl)-1,4-diazepane-1-carbonyl)pyrazine-2-carboxylic acid?
The molecular formula of 3-(4-(6-Chlorobenzo[d]thiazol-2-yl)-1,4-diazepane-1-carbonyl)pyrazine-2-carboxylic acid is C18H16ClN5O3S.
What is the molecular weight of 3-(4-(6-Chlorobenzo[d]thiazol-2-yl)-1,4-diazepane-1-carbonyl)pyrazine-2-carboxylic acid?
The molecular weight of 3-(4-(6-Chlorobenzo[d]thiazol-2-yl)-1,4-diazepane-1-carbonyl)pyrazine-2-carboxylic acid is 417.07 g/mol.
Where can I buy 3-(4-(6-Chlorobenzo[d]thiazol-2-yl)-1,4-diazepane-1-carbonyl)pyrazine-2-carboxylic acid?
You can request a quote for 3-(4-(6-Chlorobenzo[d]thiazol-2-yl)-1,4-diazepane-1-carbonyl)pyrazine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-(6-Chlorobenzo[d]thiazol-2-yl)-1,4-diazepane-1-carbonyl)pyrazine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(6-Chlorobenzo[d]thiazol-2-yl)-1,4-diazepane-1-carbonyl)pyrazine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.