4-Benzothiazol-2-yl-benzoic acid methyl ester
TL;DR: 4-Benzothiazol-2-yl-benzoic acid methyl ester (CAS 2182-77-6) is a chemical compound with molecular formula C15H11NO2S and molecular weight 269.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(1,3-benzothiazol-2-yl)benzoate
Also Known As: methyl 4-(1,3-benzothiazol-2-yl)benzoate, 4-benzothiazol-2-yl-benzoic acid methyl ester, Methyl 4-(benzo[d]thiazol-2-yl)benzoate, methyl 4-(benzothiazol-2-yl)benzoate, methyl-4-(benzothiazol-2-yl)-benzoate
| Molecular Formula | C15H11NO2S |
|---|---|
| Molecular Weight | 269.05 g/mol |
| LogP | 3.7499 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.05106 |
| Heavy Atoms | 19 |
| Complexity | 698.2452 |
Chemical Identifiers
| CAS Number | 2182-77-6 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2 |
Product Overview
4-Benzothiazol-2-yl-benzoic acid methyl ester (CAS 2182-77-6), with molecular formula C15H11NO2S and molecular weight 269.05 g/mol. IUPAC: methyl 4-(1,3-benzothiazol-2-yl)benzoate.
Chemical Property Profile of 4-Benzothiazol-2-yl-benzoic acid methyl ester
Property Insights of 4-Benzothiazol-2-yl-benzoic acid methyl ester
The XLogP value of 3.7499 indicates that 4-Benzothiazol-2-yl-benzoic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, 4-Benzothiazol-2-yl-benzoic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzothiazol-2-yl-benzoic acid 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 4-Benzothiazol-2-yl-benzoic acid methyl ester?
The CAS number of 4-Benzothiazol-2-yl-benzoic acid methyl ester is 2182-77-6.
What is the molecular formula of 4-Benzothiazol-2-yl-benzoic acid methyl ester?
The molecular formula of 4-Benzothiazol-2-yl-benzoic acid methyl ester is C15H11NO2S.
What is the molecular weight of 4-Benzothiazol-2-yl-benzoic acid methyl ester?
The molecular weight of 4-Benzothiazol-2-yl-benzoic acid methyl ester is 269.05 g/mol.
Where can I buy 4-Benzothiazol-2-yl-benzoic acid methyl ester?
You can request a quote for 4-Benzothiazol-2-yl-benzoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzothiazol-2-yl-benzoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzothiazol-2-yl-benzoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.