Cimiracemate A
TL;DR: Cimiracemate A (CAS 478294-16-5) is a chemical compound with molecular formula C19H18O7 and molecular weight 358.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3,4-dihydroxyphenyl)-2-oxopropyl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
Also Known As: Cimiracemate A, Cimiciphenol, Compound NP-014313, 3,4-Dihydroxyphenyl-2-oxopropyl isoferulate, 2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)-, 3-(3,4-dihydroxyphenyl)-2-oxopropyl ester, (2E)-
| Molecular Formula | C19H18O7 |
|---|---|
| Molecular Weight | 358.11 g/mol |
| LogP | 2.1802 |
| Topological Polar Surface Area | 113.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.10526 |
| Heavy Atoms | 26 |
| Complexity | 839.7764 |
Chemical Identifiers
| CAS Number | 478294-16-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)CC2=CC(=C(C=C2)O)O)O |
Product Overview
Cimiracemate A (CAS 478294-16-5), with molecular formula C19H18O7 and molecular weight 358.11 g/mol. IUPAC: [3-(3,4-dihydroxyphenyl)-2-oxopropyl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of Cimiracemate A
Property Insights of Cimiracemate A
The XLogP value of 2.1802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cimiracemate A. The TPSA of 113.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Cimiracemate A. Following Lipinski's Rule of Five, Cimiracemate A has 3 hydrogen bond donor(s) and 7 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 Cimiracemate A?
The CAS number of Cimiracemate A is 478294-16-5.
What is the molecular formula of Cimiracemate A?
The molecular formula of Cimiracemate A is C19H18O7.
What is the molecular weight of Cimiracemate A?
The molecular weight of Cimiracemate A is 358.11 g/mol.
Where can I buy Cimiracemate A?
You can request a quote for Cimiracemate A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cimiracemate A?
Yes, KEHONG BIO provides custom synthesis services for Cimiracemate A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.