A3872/0164541
TL;DR: A3872/0164541 (CAS 728031-62-7) is a chemical compound with molecular formula C20H17F3N2O3S and molecular weight 422.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-5-thiophen-2-ylpyrrol-2-yl]propanoic acid
Also Known As: A3872/0164541, 3-(1-(2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)-5-(thiophen-2-yl)-1H-pyrrol-2-yl)propanoic acid, 3-[1-(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid, 3-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-5-thiophen-2-ylpyrrol-2-yl]propanoic acid, 3-[1-{2-OXO-2-[3-(TRIFLUOROMETHYL)ANILINO]ETHYL}-5-(2-THIENYL)-1H-PYRROL-2-YL]PROPANOIC ACID
| Molecular Formula | C20H17F3N2O3S |
|---|---|
| Molecular Weight | 422.09 g/mol |
| LogP | 4.8913 |
| Topological Polar Surface Area | 71.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.0912 |
| Heavy Atoms | 29 |
| Complexity | 1010.40546 |
Chemical Identifiers
| CAS Number | 728031-62-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)CN2C(=CC=C2C3=CC=CS3)CCC(=O)O)C(F)(F)F |
Product Overview
A3872/0164541 (CAS 728031-62-7), with molecular formula C20H17F3N2O3S and molecular weight 422.09 g/mol. IUPAC: 3-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-5-thiophen-2-ylpyrrol-2-yl]propanoic acid.
Chemical Property Profile of A3872/0164541
Property Insights of A3872/0164541
The XLogP value of 4.8913 indicates that A3872/0164541 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.33 Ų falls within the moderate polarity range, balancing permeability and solubility for A3872/0164541. Following Lipinski's Rule of Five, A3872/0164541 has 2 hydrogen bond donor(s) and 3 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 A3872/0164541?
The CAS number of A3872/0164541 is 728031-62-7.
What is the molecular formula of A3872/0164541?
The molecular formula of A3872/0164541 is C20H17F3N2O3S.
What is the molecular weight of A3872/0164541?
The molecular weight of A3872/0164541 is 422.09 g/mol.
Where can I buy A3872/0164541?
You can request a quote for A3872/0164541 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3872/0164541?
Yes, KEHONG BIO provides custom synthesis services for A3872/0164541 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.