3-(4-甲基-2-噻唑基)苯甲酸
TL;DR: 3-(4-甲基-2-噻唑基)苯甲酸 (CAS 39920-44-0) is a chemical compound with molecular formula C11H9NO2S and molecular weight 219.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-甲基-2-噻唑基)苯甲酸
3-(4-methyl-1,3-thiazol-2-yl)benzoic acid
Also Known As: 3-(4-methyl-1,3-thiazol-2-yl)benzoic acid, 3-(4-Methyl-2-thiazolyl)benzoic acid, (E)-oct-6-en-2-one, Benzoic acid, 3-(4-methyl-2-thiazolyl)-, 3-(4-Methyl-2-thiazolyl)-benzoesaeure
| Molecular Formula | C11H9NO2S |
|---|---|
| Molecular Weight | 219.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.0354 |
| Heavy Atoms | 15 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 39920-44-0 |
|---|---|
| SMILES | CC1=CSC(=N1)C2=CC(=CC=C2)C(=O)O |
| InChIKey | WXENPEKCGWEERP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-甲基-2-噻唑基)苯甲酸 (CAS 39920-44-0), with molecular formula C11H9NO2S and molecular weight 219.04 g/mol. IUPAC: 3-(4-methyl-1,3-thiazol-2-yl)benzoic acid.
Chemical Property Profile of 3-(4-甲基-2-噻唑基)苯甲酸
Property Insights of 3-(4-甲基-2-噻唑基)苯甲酸
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-甲基-2-噻唑基)苯甲酸. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-甲基-2-噻唑基)苯甲酸. Following Lipinski's Rule of Five, 3-(4-甲基-2-噻唑基)苯甲酸 has 1 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 3-(4-甲基-2-噻唑基)苯甲酸?
The CAS number of 3-(4-甲基-2-噻唑基)苯甲酸 is 39920-44-0.
What is the molecular formula of 3-(4-甲基-2-噻唑基)苯甲酸?
The molecular formula of 3-(4-甲基-2-噻唑基)苯甲酸 is C11H9NO2S.
What is the molecular weight of 3-(4-甲基-2-噻唑基)苯甲酸?
The molecular weight of 3-(4-甲基-2-噻唑基)苯甲酸 is 219.04 g/mol.
Where can I buy 3-(4-甲基-2-噻唑基)苯甲酸?
You can request a quote for 3-(4-甲基-2-噻唑基)苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-甲基-2-噻唑基)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-甲基-2-噻唑基)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.