RefChem:1076098
TL;DR: RefChem:1076098 (CAS 112393-01-8) is a chemical compound with molecular formula C20H22N2O4 and molecular weight 354.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]-2-hydroxy-3-phenylprop-2-enoic acid
Also Known As: 3-(o-((2-(Dimethylamino)ethyl)carbamoyl)phenyl)-2-hydroxy-3-phenylacrylic acid, Acrylic acid, 3-(o-((2-(dimethylamino)ethyl)carbamoyl)phenyl)-2-hydroxy-3-phenyl-, 2-Propenoic acid, 3-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)phenyl)-2-hydroxy-3-phenyl-, (E)-3-[2-(2-dimethylaminoethylcarbamoyl)phenyl]-2-hydroxy-3-phenylprop-2-enoic acid, RefChem:1076098
| Molecular Formula | C20H22N2O4 |
|---|---|
| Molecular Weight | 354.16 g/mol |
| LogP | 2.38 |
| Topological Polar Surface Area | 89.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 354.15796 |
| Heavy Atoms | 26 |
| Complexity | 813.57074 |
Chemical Identifiers
| CAS Number | 112393-01-8 |
|---|---|
| SMILES | CN(C)CCNC(=O)C1=CC=CC=C1/C(=C(\C(=O)O)/O)/C2=CC=CC=C2 |
Product Overview
RefChem:1076098 (CAS 112393-01-8), with molecular formula C20H22N2O4 and molecular weight 354.16 g/mol. IUPAC: (E)-3-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]-2-hydroxy-3-phenylprop-2-enoic acid.
Chemical Property Profile of RefChem:1076098
Property Insights of RefChem:1076098
The XLogP value of 2.38 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1076098. The TPSA of 89.87 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1076098. Following Lipinski's Rule of Five, RefChem:1076098 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:1076098?
The CAS number of RefChem:1076098 is 112393-01-8.
What is the molecular formula of RefChem:1076098?
The molecular formula of RefChem:1076098 is C20H22N2O4.
What is the molecular weight of RefChem:1076098?
The molecular weight of RefChem:1076098 is 354.16 g/mol.
Where can I buy RefChem:1076098?
You can request a quote for RefChem:1076098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1076098?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1076098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.