![3-Thiophenecarboxylicacid,2-[[ carbonyl]amino]-5-ethyl-,ethylester structure](/static/products/588/588674-17-3.png)
3-Thiophenecarboxylicacid,2-[[ carbonyl]amino]-5-ethyl-,ethylester
TL;DR: 3-Thiophenecarboxylicacid,2-[[ carbonyl]amino]-5-ethyl-,ethylester (CAS 588674-17-3) is a chemical compound with molecular formula C18H15ClFNO3S2 and molecular weight 411.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]-5-ethylthiophene-3-carboxylate
Also Known As: 3-Thiophenecarboxylicacid,2-[[ carbonyl]amino]-5-ethyl-,ethylester, 3-Thiophenecarboxylic acid, 2-[[(3-chloro-4-fluorobenzo[b]thien-2-yl)carbonyl]amino]-5-ethyl-, ethyl ester (9CI), ethyl 2-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]-5-ethylthiophene-3-carboxylate, Ethyl 2-[(3-chloro-4-fluoro-benzothiophene-2-carbonyl)amino]-5-ethyl-thiophene-3-carboxylate, ethyl 2-[(3-chloro-4-fluorobenzo[b]thiophen-2-yl)carbonylamino]-5-ethylthiophe ne-3-carboxylate
| Molecular Formula | C18H15ClFNO3S2 |
|---|---|
| Molecular Weight | 411.02 g/mol |
| LogP | 5.7467 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.0166 |
| Heavy Atoms | 26 |
| Complexity | 995.8961 |
Chemical Identifiers
| CAS Number | 588674-17-3 |
|---|---|
| SMILES | CCC1=CC(=C(S1)NC(=O)C2=C(C3=C(C=CC=C3S2)F)Cl)C(=O)OCC |
Product Overview
3-Thiophenecarboxylicacid,2-[[ carbonyl]amino]-5-ethyl-,ethylester (CAS 588674-17-3), with molecular formula C18H15ClFNO3S2 and molecular weight 411.02 g/mol. IUPAC: ethyl 2-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]-5-ethylthiophene-3-carboxylate.
Chemical Property Profile of 3-Thiophenecarboxylicacid,2-[[ carbonyl]amino]-5-ethyl-,ethylester
Property Insights of 3-Thiophenecarboxylicacid,2-[[ carbonyl]amino]-5-ethyl-,ethylester
The XLogP value of 5.7467 indicates that 3-Thiophenecarboxylicacid,2-[[ carbonyl]amino]-5-ethyl-,ethylester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 3-Thiophenecarboxylicacid,2-[[ carbonyl]amino]-5-ethyl-,ethylester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Thiophenecarboxylicacid,2-[[ carbonyl]amino]-5-ethyl-,ethylester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Thiophenecarboxylicacid,2-[[ carbonyl]amino]-5-ethyl-,ethylester?
The CAS number of 3-Thiophenecarboxylicacid,2-[[ carbonyl]amino]-5-ethyl-,ethylester is 588674-17-3.
What is the molecular formula of 3-Thiophenecarboxylicacid,2-[[ carbonyl]amino]-5-ethyl-,ethylester?
The molecular formula of 3-Thiophenecarboxylicacid,2-[[ carbonyl]amino]-5-ethyl-,ethylester is C18H15ClFNO3S2.
What is the molecular weight of 3-Thiophenecarboxylicacid,2-[[ carbonyl]amino]-5-ethyl-,ethylester?
The molecular weight of 3-Thiophenecarboxylicacid,2-[[ carbonyl]amino]-5-ethyl-,ethylester is 411.02 g/mol.
Where can I buy 3-Thiophenecarboxylicacid,2-[[ carbonyl]amino]-5-ethyl-,ethylester?
You can request a quote for 3-Thiophenecarboxylicacid,2-[[ carbonyl]amino]-5-ethyl-,ethylester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Thiophenecarboxylicacid,2-[[ carbonyl]amino]-5-ethyl-,ethylester?
Yes, KEHONG BIO provides custom synthesis services for 3-Thiophenecarboxylicacid,2-[[ carbonyl]amino]-5-ethyl-,ethylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.