Benazolin-methyl ester
TL;DR: Benazolin-methyl ester (CAS 39205-60-2) is a chemical compound with molecular formula C10H8ClNO3S and molecular weight 256.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate
Also Known As: BENAZOLIN-METHYL ESTER, BENAZOLIN-METHYLESTER, methyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate, AE-641/11517253, Methyl 2-(4-chloro-2-oxo-benzothiazol-3-yl)acetate
| Molecular Formula | C10H8ClNO3S |
|---|---|
| Molecular Weight | 256.99 g/mol |
| LogP | 1.8894 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.99133 |
| Heavy Atoms | 16 |
| Complexity | 601.62024 |
Chemical Identifiers
| CAS Number | 39205-60-2 |
|---|---|
| SMILES | COC(=O)CN1C2=C(C=CC=C2Cl)SC1=O |
Product Overview
Benazolin-methyl ester (CAS 39205-60-2), with molecular formula C10H8ClNO3S and molecular weight 256.99 g/mol. IUPAC: methyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate.
Chemical Property Profile of Benazolin-methyl ester
Property Insights of Benazolin-methyl ester
The XLogP value of 1.8894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benazolin-methyl ester. With a topological polar surface area (TPSA) of 48.3 Ų, Benazolin-methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benazolin-methyl ester has 0 hydrogen bond donor(s) and 4 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 Benazolin-methyl ester?
The CAS number of Benazolin-methyl ester is 39205-60-2.
What is the molecular formula of Benazolin-methyl ester?
The molecular formula of Benazolin-methyl ester is C10H8ClNO3S.
What is the molecular weight of Benazolin-methyl ester?
The molecular weight of Benazolin-methyl ester is 256.99 g/mol.
Where can I buy Benazolin-methyl ester?
You can request a quote for Benazolin-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benazolin-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benazolin-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.