3-苯并噻唑啉甲酸乙酯
TL;DR: 3-苯并噻唑啉甲酸乙酯 (CAS 30831-94-8) is a chemical compound with molecular formula C10H11NO2S and molecular weight 209.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-苯并噻唑啉甲酸乙酯
ethyl 2H-1,3-benzothiazole-3-carboxylate
Also Known As: Ethyl 3-benzothiazolinecarboxylate, 3-BENZOTHIAZOLINECARBOXYLIC ACID, ETHYL ESTER, ethyl benzo[d]thiazole-3(2H)-carboxylate, ethyl 2H-1,3-benzothiazole-3-carboxylate, Ethyl 1,3-benzothiazole-3(2H)-carboxylate
| Molecular Formula | C10H11NO2S |
|---|---|
| Molecular Weight | 209.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.05106 |
| Heavy Atoms | 14 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 30831-94-8 |
|---|---|
| SMILES | CCOC(=O)N1CSC2=CC=CC=C21 |
| InChIKey | YDSIWJMQLZGKPN-UHFFFAOYSA-N |
Product Overview
3-苯并噻唑啉甲酸乙酯 (CAS 30831-94-8), with molecular formula C10H11NO2S and molecular weight 209.05 g/mol. IUPAC: ethyl 2H-1,3-benzothiazole-3-carboxylate.
Chemical Property Profile of 3-苯并噻唑啉甲酸乙酯
Property Insights of 3-苯并噻唑啉甲酸乙酯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-苯并噻唑啉甲酸乙酯. With a topological polar surface area (TPSA) of 54.8 Ų, 3-苯并噻唑啉甲酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-苯并噻唑啉甲酸乙酯 has 0 hydrogen bond donor(s) and 3 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 3-苯并噻唑啉甲酸乙酯?
The CAS number of 3-苯并噻唑啉甲酸乙酯 is 30831-94-8.
What is the molecular formula of 3-苯并噻唑啉甲酸乙酯?
The molecular formula of 3-苯并噻唑啉甲酸乙酯 is C10H11NO2S.
What is the molecular weight of 3-苯并噻唑啉甲酸乙酯?
The molecular weight of 3-苯并噻唑啉甲酸乙酯 is 209.05 g/mol.
Where can I buy 3-苯并噻唑啉甲酸乙酯?
You can request a quote for 3-苯并噻唑啉甲酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-苯并噻唑啉甲酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 3-苯并噻唑啉甲酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.