6-苯并噻唑乙酸2-(2-羟基-间甲苯基)
TL;DR: 6-苯并噻唑乙酸2-(2-羟基-间甲苯基) (CAS 36782-41-9) is a chemical compound with molecular formula C16H13NO3S and molecular weight 299.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-苯并噻唑乙酸2-(2-羟基-间甲苯基)
2-[2-(2-hydroxy-3-methylphenyl)-1,3-benzothiazol-6-yl]acetic acid
Also Known As: 2-6-benzothiazoleaceticacid, 2- -6-benzothiazoleaceticacid, 2-(2-Hydroxy-m-tolyl)-6-benzothiazoleacetic acid, (2-phenyl-benzothiazol-6-yl)-acetic acid, 6-BENZOTHIAZOLEACETIC ACID, 2-(2-HYDROXY-m-TOLYL)-
| Molecular Formula | C16H13NO3S |
|---|---|
| Molecular Weight | 299.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 98.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.0616 |
| Heavy Atoms | 21 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 36782-41-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C2=NC3=C(S2)C=C(C=C3)CC(=O)O)O |
| InChIKey | SASVEAACVSHSDE-UHFFFAOYSA-N |
Product Overview
6-苯并噻唑乙酸2-(2-羟基-间甲苯基) (CAS 36782-41-9), with molecular formula C16H13NO3S and molecular weight 299.06 g/mol. IUPAC: 2-[2-(2-hydroxy-3-methylphenyl)-1,3-benzothiazol-6-yl]acetic acid.
Chemical Property Profile of 6-苯并噻唑乙酸2-(2-羟基-间甲苯基)
Property Insights of 6-苯并噻唑乙酸2-(2-羟基-间甲苯基)
The XLogP value of 3.5 indicates that 6-苯并噻唑乙酸2-(2-羟基-间甲苯基) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-苯并噻唑乙酸2-(2-羟基-间甲苯基). Following Lipinski's Rule of Five, 6-苯并噻唑乙酸2-(2-羟基-间甲苯基) has 2 hydrogen bond donor(s) and 5 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 6-苯并噻唑乙酸2-(2-羟基-间甲苯基)?
The CAS number of 6-苯并噻唑乙酸2-(2-羟基-间甲苯基) is 36782-41-9.
What is the molecular formula of 6-苯并噻唑乙酸2-(2-羟基-间甲苯基)?
The molecular formula of 6-苯并噻唑乙酸2-(2-羟基-间甲苯基) is C16H13NO3S.
What is the molecular weight of 6-苯并噻唑乙酸2-(2-羟基-间甲苯基)?
The molecular weight of 6-苯并噻唑乙酸2-(2-羟基-间甲苯基) is 299.06 g/mol.
Where can I buy 6-苯并噻唑乙酸2-(2-羟基-间甲苯基)?
You can request a quote for 6-苯并噻唑乙酸2-(2-羟基-间甲苯基) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-苯并噻唑乙酸2-(2-羟基-间甲苯基)?
Yes, KEHONG BIO provides custom synthesis services for 6-苯并噻唑乙酸2-(2-羟基-间甲苯基) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.