(4,4'-Dicinnamoyldisulfide)dimethyl Ester
TL;DR: (4,4'-Dicinnamoyldisulfide)dimethyl Ester (CAS 94549-87-8) is a chemical compound with molecular formula C20H18O4S2 and molecular weight 386.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[4-[[4-(3-methoxy-3-oxoprop-1-enyl)phenyl]disulfanyl]phenyl]prop-2-enoate
Also Known As: (4,4'-Dicinnamoyldisulfide)dimethyl Ester, Dimethyl-4,4'-dithiobiscinnamate, (4,4'-DICINNAMOYLDISULFIDE)DIMETHYL ESTER;DIMETHYL-4,4'-DITHIOBISCINNAMATE, methyl 3-[4-[[4-(3-methoxy-3-oxoprop-1-enyl)phenyl]disulfanyl]phenyl]prop-2-enoate, Methyl 3-[4-[4-(2-methoxycarbonylethenyl)phenyl]disulfanylphenyl]prop-2-enoate
| Molecular Formula | C20H18O4S2 |
|---|---|
| Molecular Weight | 386.06 g/mol |
| LogP | 4.8584 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.06464 |
| Heavy Atoms | 26 |
| Complexity | 724.0658 |
Chemical Identifiers
| CAS Number | 94549-87-8 |
|---|---|
| SMILES | COC(=O)C=CC1=CC=C(C=C1)SSC2=CC=C(C=C2)C=CC(=O)OC |
Product Overview
(4,4'-Dicinnamoyldisulfide)dimethyl Ester (CAS 94549-87-8), with molecular formula C20H18O4S2 and molecular weight 386.06 g/mol. IUPAC: methyl 3-[4-[[4-(3-methoxy-3-oxoprop-1-enyl)phenyl]disulfanyl]phenyl]prop-2-enoate.
Chemical Property Profile of (4,4'-Dicinnamoyldisulfide)dimethyl Ester
Property Insights of (4,4'-Dicinnamoyldisulfide)dimethyl Ester
The XLogP value of 4.8584 indicates that (4,4'-Dicinnamoyldisulfide)dimethyl Ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, (4,4'-Dicinnamoyldisulfide)dimethyl Ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4,4'-Dicinnamoyldisulfide)dimethyl Ester has 0 hydrogen bond donor(s) and 6 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 (4,4'-Dicinnamoyldisulfide)dimethyl Ester?
The CAS number of (4,4'-Dicinnamoyldisulfide)dimethyl Ester is 94549-87-8.
What is the molecular formula of (4,4'-Dicinnamoyldisulfide)dimethyl Ester?
The molecular formula of (4,4'-Dicinnamoyldisulfide)dimethyl Ester is C20H18O4S2.
What is the molecular weight of (4,4'-Dicinnamoyldisulfide)dimethyl Ester?
The molecular weight of (4,4'-Dicinnamoyldisulfide)dimethyl Ester is 386.06 g/mol.
Where can I buy (4,4'-Dicinnamoyldisulfide)dimethyl Ester?
You can request a quote for (4,4'-Dicinnamoyldisulfide)dimethyl Ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4,4'-Dicinnamoyldisulfide)dimethyl Ester?
Yes, KEHONG BIO provides custom synthesis services for (4,4'-Dicinnamoyldisulfide)dimethyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.