A2661/0113448
TL;DR: A2661/0113448 (CAS 440113-33-7) is a chemical compound with molecular formula C23H18ClNO3S and molecular weight 423.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chlorophenyl)-4-hydroxy-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: A2661/0113448, 2-(2-chlorophenyl)-4-hydroxy-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one, 5-(2-chlorophenyl)-3-hydroxy-1-(2-phenylethyl)-4-(thiophen-2-ylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one, 2-(2-chlorophenyl)-4-hydroxy-1-phenethyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one, 5-(2-chlorophenyl)-3-hydroxy-1-(2-phenylethyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C23H18ClNO3S |
|---|---|
| Molecular Weight | 423.07 g/mol |
| LogP | 5.2225 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.06958 |
| Heavy Atoms | 29 |
| Complexity | 1076.522 |
Chemical Identifiers
| CAS Number | 440113-33-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=CC=C4Cl |
Product Overview
A2661/0113448 (CAS 440113-33-7), with molecular formula C23H18ClNO3S and molecular weight 423.07 g/mol. IUPAC: 2-(2-chlorophenyl)-4-hydroxy-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of A2661/0113448
Property Insights of A2661/0113448
The XLogP value of 5.2225 indicates that A2661/0113448 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, A2661/0113448 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2661/0113448 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2661/0113448?
The CAS number of A2661/0113448 is 440113-33-7.
What is the molecular formula of A2661/0113448?
The molecular formula of A2661/0113448 is C23H18ClNO3S.
What is the molecular weight of A2661/0113448?
The molecular weight of A2661/0113448 is 423.07 g/mol.
Where can I buy A2661/0113448?
You can request a quote for A2661/0113448 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2661/0113448?
Yes, KEHONG BIO provides custom synthesis services for A2661/0113448 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.