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Ethyl [(1,3-benzoxazol-2-ylsulfanyl)acetyl]carbamate
TL;DR: Ethyl [(1,3-benzoxazol-2-ylsulfanyl)acetyl]carbamate (CAS 712344-85-9) is a chemical compound with molecular formula C12H12N2O4S and molecular weight 280.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]carbamate
Also Known As: ethyl [(1,3-benzoxazol-2-ylthio)acetyl]carbamate, ethyl (2-(benzo[d]oxazol-2-ylthio)acetyl)carbamate, ethyl [(1,3-benzoxazol-2-ylsulfanyl)acetyl]carbamate, ethyl N-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]carbamate
| Molecular Formula | C12H12N2O4S |
|---|---|
| Molecular Weight | 280.05 g/mol |
| LogP | 2.1926 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.0518 |
| Heavy Atoms | 19 |
| Complexity | 563.1818 |
Chemical Identifiers
| CAS Number | 712344-85-9 |
|---|---|
| SMILES | CCOC(=O)NC(=O)CSC1=NC2=CC=CC=C2O1 |
Product Overview
Ethyl [(1,3-benzoxazol-2-ylsulfanyl)acetyl]carbamate (CAS 712344-85-9), with molecular formula C12H12N2O4S and molecular weight 280.05 g/mol. IUPAC: ethyl N-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]carbamate.
Chemical Property Profile of Ethyl [(1,3-benzoxazol-2-ylsulfanyl)acetyl]carbamate
Property Insights of Ethyl [(1,3-benzoxazol-2-ylsulfanyl)acetyl]carbamate
The XLogP value of 2.1926 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl [(1,3-benzoxazol-2-ylsulfanyl)acetyl]carbamate. The TPSA of 81.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl [(1,3-benzoxazol-2-ylsulfanyl)acetyl]carbamate. Following Lipinski's Rule of Five, Ethyl [(1,3-benzoxazol-2-ylsulfanyl)acetyl]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 Ethyl [(1,3-benzoxazol-2-ylsulfanyl)acetyl]carbamate?
The CAS number of Ethyl [(1,3-benzoxazol-2-ylsulfanyl)acetyl]carbamate is 712344-85-9.
What is the molecular formula of Ethyl [(1,3-benzoxazol-2-ylsulfanyl)acetyl]carbamate?
The molecular formula of Ethyl [(1,3-benzoxazol-2-ylsulfanyl)acetyl]carbamate is C12H12N2O4S.
What is the molecular weight of Ethyl [(1,3-benzoxazol-2-ylsulfanyl)acetyl]carbamate?
The molecular weight of Ethyl [(1,3-benzoxazol-2-ylsulfanyl)acetyl]carbamate is 280.05 g/mol.
Where can I buy Ethyl [(1,3-benzoxazol-2-ylsulfanyl)acetyl]carbamate?
You can request a quote for Ethyl [(1,3-benzoxazol-2-ylsulfanyl)acetyl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl [(1,3-benzoxazol-2-ylsulfanyl)acetyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [(1,3-benzoxazol-2-ylsulfanyl)acetyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.