2-苯基-5-苯并噻唑乙酸乙酯
TL;DR: 2-苯基-5-苯并噻唑乙酸乙酯 (CAS 49702-16-1) is a chemical compound with molecular formula C17H15NO2S and molecular weight 297.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-苯基-5-苯并噻唑乙酸乙酯
ethyl 2-(2-phenyl-1,3-benzothiazol-5-yl)acetate
Also Known As: Ethyl 2-phenyl-5-benzothiazoleacetate, 5-BENZOTHIAZOLEACETIC ACID, 2-PHENYL-, ETHYL ESTER, (2-Phenyl-benzothiazol-5-yl)-acetic acid ethyl ester, BAS 00417147, ethyl 2-(2-phenyl-1,3-benzothiazol-5-yl)acetate
| Molecular Formula | C17H15NO2S |
|---|---|
| Molecular Weight | 297.08 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.08234 |
| Heavy Atoms | 21 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 49702-16-1 |
|---|---|
| SMILES | CCOC(=O)CC1=CC2=C(C=C1)SC(=N2)C3=CC=CC=C3 |
| InChIKey | KDOPUKOTJDLFQA-UHFFFAOYSA-N |
Product Overview
2-苯基-5-苯并噻唑乙酸乙酯 (CAS 49702-16-1), with molecular formula C17H15NO2S and molecular weight 297.08 g/mol. IUPAC: ethyl 2-(2-phenyl-1,3-benzothiazol-5-yl)acetate.
Chemical Property Profile of 2-苯基-5-苯并噻唑乙酸乙酯
Property Insights of 2-苯基-5-苯并噻唑乙酸乙酯
The XLogP value of 4.4 indicates that 2-苯基-5-苯并噻唑乙酸乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-苯基-5-苯并噻唑乙酸乙酯. Following Lipinski's Rule of Five, 2-苯基-5-苯并噻唑乙酸乙酯 has 0 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 2-苯基-5-苯并噻唑乙酸乙酯?
The CAS number of 2-苯基-5-苯并噻唑乙酸乙酯 is 49702-16-1.
What is the molecular formula of 2-苯基-5-苯并噻唑乙酸乙酯?
The molecular formula of 2-苯基-5-苯并噻唑乙酸乙酯 is C17H15NO2S.
What is the molecular weight of 2-苯基-5-苯并噻唑乙酸乙酯?
The molecular weight of 2-苯基-5-苯并噻唑乙酸乙酯 is 297.08 g/mol.
Where can I buy 2-苯基-5-苯并噻唑乙酸乙酯?
You can request a quote for 2-苯基-5-苯并噻唑乙酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-苯基-5-苯并噻唑乙酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 2-苯基-5-苯并噻唑乙酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.