6-Nitro-benzothiazol-2-yl-carbamic acid ethyl ester
TL;DR: 6-Nitro-benzothiazol-2-yl-carbamic acid ethyl ester (CAS 449175-99-9) 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.
ethyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate
Also Known As: Ethyl N-(6-nitro-2-benzothiazolyl)carbamate, 6-nitro-benzothiazol-2-yl-carbamic acid ethyl ester, ethyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate, Carbamic acid, N-(6-nitro-2-benzothiazolyl)-, ethyl ester
| Molecular Formula | C10H9N3O4S |
|---|---|
| Molecular Weight | 267.03 g/mol |
| LogP | 2.7 |
| 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 | 449175-99-9 |
|---|---|
| SMILES | CCOC(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-] |
| InChIKey | YLZSORUEQQIHOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Nitro-benzothiazol-2-yl-carbamic acid ethyl ester (CAS 449175-99-9), with molecular formula C10H9N3O4S and molecular weight 267.03 g/mol. IUPAC: ethyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate.
Chemical Property Profile of 6-Nitro-benzothiazol-2-yl-carbamic acid ethyl ester
Property Insights of 6-Nitro-benzothiazol-2-yl-carbamic acid ethyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Nitro-benzothiazol-2-yl-carbamic acid ethyl ester. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitro-benzothiazol-2-yl-carbamic acid ethyl ester. Following Lipinski's Rule of Five, 6-Nitro-benzothiazol-2-yl-carbamic acid ethyl ester 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 6-Nitro-benzothiazol-2-yl-carbamic acid ethyl ester?
The CAS number of 6-Nitro-benzothiazol-2-yl-carbamic acid ethyl ester is 449175-99-9.
What is the molecular formula of 6-Nitro-benzothiazol-2-yl-carbamic acid ethyl ester?
The molecular formula of 6-Nitro-benzothiazol-2-yl-carbamic acid ethyl ester is C10H9N3O4S.
What is the molecular weight of 6-Nitro-benzothiazol-2-yl-carbamic acid ethyl ester?
The molecular weight of 6-Nitro-benzothiazol-2-yl-carbamic acid ethyl ester is 267.03 g/mol.
Where can I buy 6-Nitro-benzothiazol-2-yl-carbamic acid ethyl ester?
You can request a quote for 6-Nitro-benzothiazol-2-yl-carbamic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Nitro-benzothiazol-2-yl-carbamic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitro-benzothiazol-2-yl-carbamic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.