RefChem:1076100
TL;DR: RefChem:1076100 (CAS 112392-99-1) is a chemical compound with molecular formula C21H24N2O4 and molecular weight 368.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]-2-hydroxy-3-phenylprop-2-enoic acid
Also Known As: 3-(o-((3-(Dimethylamino)propyl)carbamoyl)phenyl)-2-hydroxy-3-phenylacrylic acid, Acrylic acid, 3-(o-((3-(dimethylamino)propyl)carbamoyl)phenyl)-2-hydroxy-3-phenyl-, 2-Propenoic acid, 3-(2-(((3-(dimethylamino)propyl)amino)carbonyl)phenyl)-2-hydroxy-3-phenyl-, (Z)-3-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]-2-hydroxy-3-phenylprop-2-enoic acid, RefChem:1076100
| Molecular Formula | C21H24N2O4 |
|---|---|
| Molecular Weight | 368.17 g/mol |
| LogP | 2.7701 |
| Topological Polar Surface Area | 89.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 368.1736 |
| Heavy Atoms | 27 |
| Complexity | 829.0851 |
Chemical Identifiers
| CAS Number | 112392-99-1 |
|---|---|
| SMILES | CN(C)CCCNC(=O)C1=CC=CC=C1/C(=C(/C(=O)O)\O)/C2=CC=CC=C2 |
Product Overview
RefChem:1076100 (CAS 112392-99-1), with molecular formula C21H24N2O4 and molecular weight 368.17 g/mol. IUPAC: (Z)-3-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]-2-hydroxy-3-phenylprop-2-enoic acid.
Chemical Property Profile of RefChem:1076100
Property Insights of RefChem:1076100
The XLogP value of 2.7701 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1076100. The TPSA of 89.87 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1076100. Following Lipinski's Rule of Five, RefChem:1076100 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:1076100?
The CAS number of RefChem:1076100 is 112392-99-1.
What is the molecular formula of RefChem:1076100?
The molecular formula of RefChem:1076100 is C21H24N2O4.
What is the molecular weight of RefChem:1076100?
The molecular weight of RefChem:1076100 is 368.17 g/mol.
Where can I buy RefChem:1076100?
You can request a quote for RefChem:1076100 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1076100?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1076100 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.