Cimiracemate D
TL;DR: Cimiracemate D (CAS 488804-02-0) is a chemical compound with molecular formula C20H20O8 and molecular weight 388.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3,4-dihydroxyphenyl)-3-methoxy-2-oxopropyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Also Known As: Cimiracemate D, J1.832.328A, 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 3-(3,4-dihydroxyphenyl)-3-methoxy-2-oxopropyl ester, (2E)-(-)-, (E)-3-(4-Hydroxy-3-methoxyphenyl)propenoic acid 3-(3,4-dihydroxyphenyl)-3-methoxy-2-oxopropyl ester, [3-(3,4-dihydroxyphenyl)-3-methoxy-2-oxopropyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
| Molecular Formula | C20H20O8 |
|---|---|
| Molecular Weight | 388.12 g/mol |
| LogP | 2.3252 |
| Topological Polar Surface Area | 122.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 388.1158 |
| Heavy Atoms | 28 |
| Complexity | 887.7696 |
Chemical Identifiers
| CAS Number | 488804-02-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)C(C2=CC(=C(C=C2)O)O)OC)O |
Product Overview
Cimiracemate D (CAS 488804-02-0), with molecular formula C20H20O8 and molecular weight 388.12 g/mol. IUPAC: [3-(3,4-dihydroxyphenyl)-3-methoxy-2-oxopropyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of Cimiracemate D
Property Insights of Cimiracemate D
The XLogP value of 2.3252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cimiracemate D. The TPSA of 122.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Cimiracemate D. Following Lipinski's Rule of Five, Cimiracemate D has 3 hydrogen bond donor(s) and 8 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 D?
The CAS number of Cimiracemate D is 488804-02-0.
What is the molecular formula of Cimiracemate D?
The molecular formula of Cimiracemate D is C20H20O8.
What is the molecular weight of Cimiracemate D?
The molecular weight of Cimiracemate D is 388.12 g/mol.
Where can I buy Cimiracemate D?
You can request a quote for Cimiracemate D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cimiracemate D?
Yes, KEHONG BIO provides custom synthesis services for Cimiracemate D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.