甲基-2-苯基-5-苯并噻唑乙酸
TL;DR: 甲基-2-苯基-5-苯并噻唑乙酸 (CAS 52321-65-0) is a chemical compound with molecular formula C16H13NO2S and molecular weight 283.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲基-2-苯基-5-苯并噻唑乙酸
2-(2-phenyl-1,3-benzothiazol-5-yl)propanoic acid
Also Known As: 2-(2-phenyl-1,3-benzothiazol-5-yl)propanoic acid, 2-Phenyl-5-benzothiazole-alpha-methylacetic acid, 5-BENZOTHIAZOLEACETIC ACID, alpha-METHYL-2-PHENYL-, alpha-Methyl-2-phenyl-5-benzothiazoleacetic acid, 5-Benzothiazoleacetic acid, .alpha.-methyl-2-phenyl-
| Molecular Formula | C16H13NO2S |
|---|---|
| Molecular Weight | 283.07 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.0667 |
| Heavy Atoms | 20 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 52321-65-0 |
|---|---|
| SMILES | CC(C1=CC2=C(C=C1)SC(=N2)C3=CC=CC=C3)C(=O)O |
| InChIKey | XCGOOGLJHMKVRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲基-2-苯基-5-苯并噻唑乙酸 (CAS 52321-65-0), with molecular formula C16H13NO2S and molecular weight 283.07 g/mol. IUPAC: 2-(2-phenyl-1,3-benzothiazol-5-yl)propanoic acid.
Chemical Property Profile of 甲基-2-苯基-5-苯并噻唑乙酸
Property Insights of 甲基-2-苯基-5-苯并噻唑乙酸
The XLogP value of 4.3 indicates that 甲基-2-苯基-5-苯并噻唑乙酸 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 甲基-2-苯基-5-苯并噻唑乙酸. Following Lipinski's Rule of Five, 甲基-2-苯基-5-苯并噻唑乙酸 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 甲基-2-苯基-5-苯并噻唑乙酸?
The CAS number of 甲基-2-苯基-5-苯并噻唑乙酸 is 52321-65-0.
What is the molecular formula of 甲基-2-苯基-5-苯并噻唑乙酸?
The molecular formula of 甲基-2-苯基-5-苯并噻唑乙酸 is C16H13NO2S.
What is the molecular weight of 甲基-2-苯基-5-苯并噻唑乙酸?
The molecular weight of 甲基-2-苯基-5-苯并噻唑乙酸 is 283.07 g/mol.
Where can I buy 甲基-2-苯基-5-苯并噻唑乙酸?
You can request a quote for 甲基-2-苯基-5-苯并噻唑乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲基-2-苯基-5-苯并噻唑乙酸?
Yes, KEHONG BIO provides custom synthesis services for 甲基-2-苯基-5-苯并噻唑乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.