RefChem:1076090
TL;DR: RefChem:1076090 (CAS 112392-97-9) is a chemical compound with molecular formula C22H24N2O4 and molecular weight 380.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-hydroxy-3-phenyl-3-[2-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]prop-2-enoic acid
Also Known As: 2-Hydroxy-3-phenyl-3-(o-((2-(1-pyrrolidinyl)ethyl)carbamoyl)phenyl)acrylic acid, Acrylic acid, 2-hydroxy-3-phenyl-3-(o-((2-(1-pyrrolidinyl)ethyl)carbamoyl)phenyl)-, 2-Propenoic acid, 2-hydroxy-3-phenyl-3-(2-(((2-(1-pyrrolidinyl)ethyl)amino)carbonyl)phenyl)-, (Z)-2-hydroxy-3-phenyl-3-[2-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]prop-2-enoic acid, RefChem:1076090
| Molecular Formula | C22H24N2O4 |
|---|---|
| Molecular Weight | 380.17 g/mol |
| LogP | 2.9142 |
| Topological Polar Surface Area | 89.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 380.1736 |
| Heavy Atoms | 28 |
| Complexity | 871.1153 |
Chemical Identifiers
| CAS Number | 112392-97-9 |
|---|---|
| SMILES | C1CCN(C1)CCNC(=O)C2=CC=CC=C2/C(=C(/C(=O)O)\O)/C3=CC=CC=C3 |
Product Overview
RefChem:1076090 (CAS 112392-97-9), with molecular formula C22H24N2O4 and molecular weight 380.17 g/mol. IUPAC: (Z)-2-hydroxy-3-phenyl-3-[2-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]prop-2-enoic acid.
Chemical Property Profile of RefChem:1076090
Property Insights of RefChem:1076090
The XLogP value of 2.9142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1076090. The TPSA of 89.87 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1076090. Following Lipinski's Rule of Five, RefChem:1076090 has 3 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 RefChem:1076090?
The CAS number of RefChem:1076090 is 112392-97-9.
What is the molecular formula of RefChem:1076090?
The molecular formula of RefChem:1076090 is C22H24N2O4.
What is the molecular weight of RefChem:1076090?
The molecular weight of RefChem:1076090 is 380.17 g/mol.
Where can I buy RefChem:1076090?
You can request a quote for RefChem:1076090 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1076090?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1076090 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.