methyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate
TL;DR: methyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate (CAS 101860-79-1) is a chemical compound with molecular formula C9H7N3O4S and molecular weight 253.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate
Also Known As: methyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate, methyl (6-nitro-1,3-benzothiazol-2-yl)carbamate, methoxy-N-(6-nitrobenzothiazol-2-yl)carboxamide, (6-Nitrobenzothiazol-2-yl)carbamic acid,methyl ester
| Molecular Formula | C9H7N3O4S |
|---|---|
| Molecular Weight | 253.02 g/mol |
| LogP | 2.3828 |
| Topological Polar Surface Area | 94.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.01573 |
| Heavy Atoms | 17 |
| Complexity | 594.93854 |
Chemical Identifiers
| CAS Number | 101860-79-1 |
|---|---|
| SMILES | COC(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-] |
Product Overview
methyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate (CAS 101860-79-1), with molecular formula C9H7N3O4S and molecular weight 253.02 g/mol. IUPAC: methyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate.
Chemical Property Profile of methyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate
Property Insights of methyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate
The XLogP value of 2.3828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate. The TPSA of 94.36 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate. Following Lipinski's Rule of Five, methyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate 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 methyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate?
The CAS number of methyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate is 101860-79-1.
What is the molecular formula of methyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate?
The molecular formula of methyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate is C9H7N3O4S.
What is the molecular weight of methyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate?
The molecular weight of methyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate is 253.02 g/mol.
Where can I buy methyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate?
You can request a quote for methyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.