5-苯并噻唑乙酸2-(4-氯苯基)
TL;DR: 5-苯并噻唑乙酸2-(4-氯苯基) (CAS 36782-49-7) is a chemical compound with molecular formula C15H10ClNO2S and molecular weight 303.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-苯并噻唑乙酸2-(4-氯苯基)
2-[2-(4-chlorophenyl)-1,3-benzothiazol-5-yl]acetic acid
Also Known As: 2- -5-benzothiazoleaceticacid, 2-(4-Chlorophenyl)-5-benzothiazoleacetic acid, 5-BENZOTHIAZOLEACETIC ACID, 2-(4-CHLOROPHENYL)-, (2-phenyl-benzothiazol-6-yl)-acetic acid, 2-[2-(4-chlorophenyl)-1,3-benzothiazol-5-yl]acetic acid
| Molecular Formula | C15H10ClNO2S |
|---|---|
| Molecular Weight | 303.01 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.0121 |
| Heavy Atoms | 20 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 36782-49-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC3=C(S2)C=CC(=C3)CC(=O)O)Cl |
| InChIKey | FJGLVTYWNCZPBL-UHFFFAOYSA-N |
Product Overview
5-苯并噻唑乙酸2-(4-氯苯基) (CAS 36782-49-7), with molecular formula C15H10ClNO2S and molecular weight 303.01 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-1,3-benzothiazol-5-yl]acetic acid.
Chemical Property Profile of 5-苯并噻唑乙酸2-(4-氯苯基)
Property Insights of 5-苯并噻唑乙酸2-(4-氯苯基)
The XLogP value of 4.4 indicates that 5-苯并噻唑乙酸2-(4-氯苯基) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-苯并噻唑乙酸2-(4-氯苯基). Following Lipinski's Rule of Five, 5-苯并噻唑乙酸2-(4-氯苯基) 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 5-苯并噻唑乙酸2-(4-氯苯基)?
The CAS number of 5-苯并噻唑乙酸2-(4-氯苯基) is 36782-49-7.
What is the molecular formula of 5-苯并噻唑乙酸2-(4-氯苯基)?
The molecular formula of 5-苯并噻唑乙酸2-(4-氯苯基) is C15H10ClNO2S.
What is the molecular weight of 5-苯并噻唑乙酸2-(4-氯苯基)?
The molecular weight of 5-苯并噻唑乙酸2-(4-氯苯基) is 303.01 g/mol.
Where can I buy 5-苯并噻唑乙酸2-(4-氯苯基)?
You can request a quote for 5-苯并噻唑乙酸2-(4-氯苯基) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-苯并噻唑乙酸2-(4-氯苯基)?
Yes, KEHONG BIO provides custom synthesis services for 5-苯并噻唑乙酸2-(4-氯苯基) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.