N-(5-硝基-1,2-苯并噻唑-3-基)氨基甲酸乙酯
TL;DR: N-(5-硝基-1,2-苯并噻唑-3-基)氨基甲酸乙酯 (CAS 105734-76-7) is a chemical compound with molecular formula C10H9N3O4S and molecular weight 267.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-硝基-1,2-苯并噻唑-3-基)氨基甲酸乙酯
ethyl N-(5-nitro-1,2-benzothiazol-3-yl)carbamate
Also Known As: Ethyl N-(5-nitro-1,2-benzothiazol-3-yl)carbamate, ethyl(5-nitro-1,2-benzothiazol-3-yl)carbamate, Ethyl (5-nitro-1,2-benzothiazol-3(2H)-ylidene)carbamate, Ethyl N-(3-nitro-7-thia-8-azabicyclo[4.3.0]nona-2,4,8,10-tetraen-9-yl)carbamate
| Molecular Formula | C10H9N3O4S |
|---|---|
| Molecular Weight | 267.03 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.03137 |
| Heavy Atoms | 18 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 105734-76-7 |
|---|---|
| SMILES | CCOC(=O)NC1=NSC2=C1C=C(C=C2)[N+](=O)[O-] |
| InChIKey | FKHCPSGBQZKLOJ-UHFFFAOYSA-N |
Product Overview
N-(5-硝基-1,2-苯并噻唑-3-基)氨基甲酸乙酯 (CAS 105734-76-7), with molecular formula C10H9N3O4S and molecular weight 267.03 g/mol. IUPAC: ethyl N-(5-nitro-1,2-benzothiazol-3-yl)carbamate.
Chemical Property Profile of N-(5-硝基-1,2-苯并噻唑-3-基)氨基甲酸乙酯
Property Insights of N-(5-硝基-1,2-苯并噻唑-3-基)氨基甲酸乙酯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-硝基-1,2-苯并噻唑-3-基)氨基甲酸乙酯. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-硝基-1,2-苯并噻唑-3-基)氨基甲酸乙酯. Following Lipinski's Rule of Five, N-(5-硝基-1,2-苯并噻唑-3-基)氨基甲酸乙酯 has 1 hydrogen bond donor(s) and 6 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-硝基-1,2-苯并噻唑-3-基)氨基甲酸乙酯?
The CAS number of N-(5-硝基-1,2-苯并噻唑-3-基)氨基甲酸乙酯 is 105734-76-7.
What is the molecular formula of N-(5-硝基-1,2-苯并噻唑-3-基)氨基甲酸乙酯?
The molecular formula of N-(5-硝基-1,2-苯并噻唑-3-基)氨基甲酸乙酯 is C10H9N3O4S.
What is the molecular weight of N-(5-硝基-1,2-苯并噻唑-3-基)氨基甲酸乙酯?
The molecular weight of N-(5-硝基-1,2-苯并噻唑-3-基)氨基甲酸乙酯 is 267.03 g/mol.
Where can I buy N-(5-硝基-1,2-苯并噻唑-3-基)氨基甲酸乙酯?
You can request a quote for N-(5-硝基-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-硝基-1,2-苯并噻唑-3-基)氨基甲酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for N-(5-硝基-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.