ethyl (N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)formate
TL;DR: ethyl (N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)formate (CAS 81779-13-7) is a chemical compound with molecular formula C11H14N2O3S and molecular weight 254.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)acetate
Also Known As: BAS 05277387, ethyl (N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)formate, ethyl oxo(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)acetate, N-(4,5,6,7-Tetrahydro-benzothiazol-2-yl)-oxalamic acid ethyl ester, ethyl 2-oxo-2-((4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)amino)acetate
| Molecular Formula | C11H14N2O3S |
|---|---|
| Molecular Weight | 254.07 g/mol |
| LogP | 1.5235 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.07251 |
| Heavy Atoms | 17 |
| Complexity | 418.425 |
Chemical Identifiers
| CAS Number | 81779-13-7 |
|---|---|
| SMILES | CCOC(=O)C(=O)NC1=NC2=C(S1)CCCC2 |
Product Overview
ethyl (N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)formate (CAS 81779-13-7), with molecular formula C11H14N2O3S and molecular weight 254.07 g/mol. IUPAC: ethyl 2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)acetate.
Chemical Property Profile of ethyl (N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)formate
Property Insights of ethyl (N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)formate
The XLogP value of 1.5235 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)formate. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)formate. Following Lipinski's Rule of Five, ethyl (N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)formate 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 ethyl (N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)formate?
The CAS number of ethyl (N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)formate is 81779-13-7.
What is the molecular formula of ethyl (N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)formate?
The molecular formula of ethyl (N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)formate is C11H14N2O3S.
What is the molecular weight of ethyl (N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)formate?
The molecular weight of ethyl (N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)formate is 254.07 g/mol.
Where can I buy ethyl (N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)formate?
You can request a quote for ethyl (N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)formate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)formate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.