Ethyl N-(2-formylthiophen-3-yl)carbamate
TL;DR: Ethyl N-(2-formylthiophen-3-yl)carbamate (CAS 122805-79-2) is a chemical compound with molecular formula C8H9NO3S and molecular weight 199.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(2-formylthiophen-3-yl)carbamate
Also Known As: Ethyl N-(2-formylthiophen-3-yl)carbamate, ETHOXY-N-(2-FORMYL(3-THIENYL))FORMAMIDE, ethyl N-(2-formyl-3-thienyl)carbamate, ethoxy-N-(2-formyl(3-thienyl))carboxamide, Carbamic acid, (2-formyl-3-thienyl)-, ethyl ester
| Molecular Formula | C8H9NO3S |
|---|---|
| Molecular Weight | 199.03 g/mol |
| LogP | 2.129 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.03032 |
| Heavy Atoms | 13 |
| Complexity | 308.0927 |
Chemical Identifiers
| CAS Number | 122805-79-2 |
|---|---|
| SMILES | CCOC(=O)NC1=C(SC=C1)C=O |
Product Overview
Ethyl N-(2-formylthiophen-3-yl)carbamate (CAS 122805-79-2), with molecular formula C8H9NO3S and molecular weight 199.03 g/mol. IUPAC: ethyl N-(2-formylthiophen-3-yl)carbamate.
Chemical Property Profile of Ethyl N-(2-formylthiophen-3-yl)carbamate
Property Insights of Ethyl N-(2-formylthiophen-3-yl)carbamate
The XLogP value of 2.129 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl N-(2-formylthiophen-3-yl)carbamate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl N-(2-formylthiophen-3-yl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl N-(2-formylthiophen-3-yl)carbamate has 1 hydrogen bond donor(s) and 4 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-(2-formylthiophen-3-yl)carbamate?
The CAS number of Ethyl N-(2-formylthiophen-3-yl)carbamate is 122805-79-2.
What is the molecular formula of Ethyl N-(2-formylthiophen-3-yl)carbamate?
The molecular formula of Ethyl N-(2-formylthiophen-3-yl)carbamate is C8H9NO3S.
What is the molecular weight of Ethyl N-(2-formylthiophen-3-yl)carbamate?
The molecular weight of Ethyl N-(2-formylthiophen-3-yl)carbamate is 199.03 g/mol.
Where can I buy Ethyl N-(2-formylthiophen-3-yl)carbamate?
You can request a quote for Ethyl N-(2-formylthiophen-3-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl N-(2-formylthiophen-3-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N-(2-formylthiophen-3-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.