Carbamic acid, N-(2,1,3-benzothiadiazol-4-yl)-, ethyl ester
TL;DR: Carbamic acid, N-(2,1,3-benzothiadiazol-4-yl)-, ethyl ester (CAS 71014-12-5) is a chemical compound with molecular formula C9H9N3O2S and molecular weight 223.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(2,1,3-benzothiadiazol-4-yl)carbamate
Also Known As: TimTec1_003756, ethyl N-(2,1,3-benzothiadiazol-4-yl)carbamate, Ethyl 2,1,3-benzothiadiazol-4-ylcarbamate #, N-benzo[c]1,2,5-thiadiazol-4-ylethoxycarboxamide, BRD-K61408854-001-01-1
| Molecular Formula | C9H9N3O2S |
|---|---|
| Molecular Weight | 223.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.04155 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 71014-12-5 |
|---|---|
| SMILES | CCOC(=O)NC1=CC=CC2=NSN=C21 |
| InChIKey | VTONAKOKMCFQTE-UHFFFAOYSA-N |
Product Overview
Carbamic acid, N-(2,1,3-benzothiadiazol-4-yl)-, ethyl ester (CAS 71014-12-5), with molecular formula C9H9N3O2S and molecular weight 223.04 g/mol. IUPAC: ethyl N-(2,1,3-benzothiadiazol-4-yl)carbamate.
Chemical Property Profile of Carbamic acid, N-(2,1,3-benzothiadiazol-4-yl)-, ethyl ester
Property Insights of Carbamic acid, N-(2,1,3-benzothiadiazol-4-yl)-, ethyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, N-(2,1,3-benzothiadiazol-4-yl)-, ethyl ester. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, N-(2,1,3-benzothiadiazol-4-yl)-, ethyl ester. Following Lipinski's Rule of Five, Carbamic acid, N-(2,1,3-benzothiadiazol-4-yl)-, ethyl ester has 1 hydrogen bond donor(s) and 5 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 Carbamic acid, N-(2,1,3-benzothiadiazol-4-yl)-, ethyl ester?
The CAS number of Carbamic acid, N-(2,1,3-benzothiadiazol-4-yl)-, ethyl ester is 71014-12-5.
What is the molecular formula of Carbamic acid, N-(2,1,3-benzothiadiazol-4-yl)-, ethyl ester?
The molecular formula of Carbamic acid, N-(2,1,3-benzothiadiazol-4-yl)-, ethyl ester is C9H9N3O2S.
What is the molecular weight of Carbamic acid, N-(2,1,3-benzothiadiazol-4-yl)-, ethyl ester?
The molecular weight of Carbamic acid, N-(2,1,3-benzothiadiazol-4-yl)-, ethyl ester is 223.04 g/mol.
Where can I buy Carbamic acid, N-(2,1,3-benzothiadiazol-4-yl)-, ethyl ester?
You can request a quote for Carbamic acid, N-(2,1,3-benzothiadiazol-4-yl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, N-(2,1,3-benzothiadiazol-4-yl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, N-(2,1,3-benzothiadiazol-4-yl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.