1,2-苯并异噻唑-3-乙酸
TL;DR: 1,2-苯并异噻唑-3-乙酸 (CAS 29266-68-0) is a chemical compound with molecular formula C9H7NO2S and molecular weight 193.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-苯并异噻唑-3-乙酸
2-(1,2-benzothiazol-3-yl)acetic acid
Also Known As: 1,2-Benzisothiazole-3-acetic acid, 2-(1,2-benzothiazol-3-yl)acetic acid, 2-(Benzo[d]isothiazol-3-yl)acetic acid, 1,2-benzothiazol-3-ylacetic acid, 3-Benzisothiazoleacetic Acid
| Molecular Formula | C9H7NO2S |
|---|---|
| Molecular Weight | 193.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.01974 |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 29266-68-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NS2)CC(=O)O |
| InChIKey | HWLOCGLMEHUBAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-苯并异噻唑-3-乙酸 (CAS 29266-68-0), with molecular formula C9H7NO2S and molecular weight 193.02 g/mol. IUPAC: 2-(1,2-benzothiazol-3-yl)acetic acid.
Chemical Property Profile of 1,2-苯并异噻唑-3-乙酸
Property Insights of 1,2-苯并异噻唑-3-乙酸
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-苯并异噻唑-3-乙酸. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-苯并异噻唑-3-乙酸. Following Lipinski's Rule of Five, 1,2-苯并异噻唑-3-乙酸 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 1,2-苯并异噻唑-3-乙酸?
The CAS number of 1,2-苯并异噻唑-3-乙酸 is 29266-68-0.
What is the molecular formula of 1,2-苯并异噻唑-3-乙酸?
The molecular formula of 1,2-苯并异噻唑-3-乙酸 is C9H7NO2S.
What is the molecular weight of 1,2-苯并异噻唑-3-乙酸?
The molecular weight of 1,2-苯并异噻唑-3-乙酸 is 193.02 g/mol.
Where can I buy 1,2-苯并异噻唑-3-乙酸?
You can request a quote for 1,2-苯并异噻唑-3-乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-苯并异噻唑-3-乙酸?
Yes, KEHONG BIO provides custom synthesis services for 1,2-苯并异噻唑-3-乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.