N-(5-氯-1,2-苯并噻唑-3-基)氨基甲酸乙酯
TL;DR: N-(5-氯-1,2-苯并噻唑-3-基)氨基甲酸乙酯 (CAS 115974-71-5) is a chemical compound with molecular formula C10H9ClN2O2S and molecular weight 256.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-氯-1,2-苯并噻唑-3-基)氨基甲酸乙酯
ethyl N-(5-chloro-1,2-benzothiazol-3-yl)carbamate
Also Known As: Ethyl N-(5-chloro-1,2-benzothiazol-3-yl)carbamate, ethyl(5-chloro-1,2-benzothiazol-3-yl)carbamate, Ethyl (5-chloro-1,2-benzothiazol-3(2H)-ylidene)carbamate, Ethyl N-(3-chloro-7-thia-8-azabicyclo[4.3.0]nona-2,4,8,10-tetraen-9-yl)carbamate
| Molecular Formula | C10H9ClN2O2S |
|---|---|
| Molecular Weight | 256.01 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.00732 |
| Heavy Atoms | 16 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 115974-71-5 |
|---|---|
| SMILES | CCOC(=O)NC1=NSC2=C1C=C(C=C2)Cl |
| InChIKey | KHSQQMUIRFKRJX-UHFFFAOYSA-N |
Product Overview
N-(5-氯-1,2-苯并噻唑-3-基)氨基甲酸乙酯 (CAS 115974-71-5), with molecular formula C10H9ClN2O2S and molecular weight 256.01 g/mol. IUPAC: ethyl N-(5-chloro-1,2-benzothiazol-3-yl)carbamate.
Chemical Property Profile of N-(5-氯-1,2-苯并噻唑-3-基)氨基甲酸乙酯
Property Insights of N-(5-氯-1,2-苯并噻唑-3-基)氨基甲酸乙酯
The XLogP value of 3.2 indicates that N-(5-氯-1,2-苯并噻唑-3-基)氨基甲酸乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-氯-1,2-苯并噻唑-3-基)氨基甲酸乙酯. Following Lipinski's Rule of Five, N-(5-氯-1,2-苯并噻唑-3-基)氨基甲酸乙酯 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 N-(5-氯-1,2-苯并噻唑-3-基)氨基甲酸乙酯?
The CAS number of N-(5-氯-1,2-苯并噻唑-3-基)氨基甲酸乙酯 is 115974-71-5.
What is the molecular formula of N-(5-氯-1,2-苯并噻唑-3-基)氨基甲酸乙酯?
The molecular formula of N-(5-氯-1,2-苯并噻唑-3-基)氨基甲酸乙酯 is C10H9ClN2O2S.
What is the molecular weight of N-(5-氯-1,2-苯并噻唑-3-基)氨基甲酸乙酯?
The molecular weight of N-(5-氯-1,2-苯并噻唑-3-基)氨基甲酸乙酯 is 256.01 g/mol.
Where can I buy N-(5-氯-1,2-苯并噻唑-3-基)氨基甲酸乙酯?
You can request a quote for N-(5-氯-1,2-苯并噻唑-3-基)氨基甲酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-氯-1,2-苯并噻唑-3-基)氨基甲酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for N-(5-氯-1,2-苯并噻唑-3-基)氨基甲酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.