Docosyl-3,4-dihydroxy-trans-cinnamate
TL;DR: Docosyl-3,4-dihydroxy-trans-cinnamate (CAS 50432-89-8) is a chemical compound with molecular formula C31H52O4 and molecular weight 488.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
docosyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Also Known As: Docosyl caffeate, Docosylcaffeate, (E)-Docosyl caffeate, Caffeic acid docosyl ester, Docosyl 3-(3,4-dihydroxyphenyl)acrylate
| Molecular Formula | C31H52O4 |
|---|---|
| Molecular Weight | 488.39 g/mol |
| LogP | 9.4761 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 23 |
| Exact Mass | 488.38657 |
| Heavy Atoms | 35 |
| Complexity | 667.947 |
Chemical Identifiers
| CAS Number | 50432-89-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/C1=CC(=C(C=C1)O)O |
Product Overview
Docosyl-3,4-dihydroxy-trans-cinnamate (CAS 50432-89-8), with molecular formula C31H52O4 and molecular weight 488.39 g/mol. IUPAC: docosyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate.
Chemical Property Profile of Docosyl-3,4-dihydroxy-trans-cinnamate
Property Insights of Docosyl-3,4-dihydroxy-trans-cinnamate
The XLogP value of 9.4761 indicates that Docosyl-3,4-dihydroxy-trans-cinnamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Docosyl-3,4-dihydroxy-trans-cinnamate. Following Lipinski's Rule of Five, Docosyl-3,4-dihydroxy-trans-cinnamate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Docosyl-3,4-dihydroxy-trans-cinnamate?
The CAS number of Docosyl-3,4-dihydroxy-trans-cinnamate is 50432-89-8.
What is the molecular formula of Docosyl-3,4-dihydroxy-trans-cinnamate?
The molecular formula of Docosyl-3,4-dihydroxy-trans-cinnamate is C31H52O4.
What is the molecular weight of Docosyl-3,4-dihydroxy-trans-cinnamate?
The molecular weight of Docosyl-3,4-dihydroxy-trans-cinnamate is 488.39 g/mol.
Where can I buy Docosyl-3,4-dihydroxy-trans-cinnamate?
You can request a quote for Docosyl-3,4-dihydroxy-trans-cinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Docosyl-3,4-dihydroxy-trans-cinnamate?
Yes, KEHONG BIO provides custom synthesis services for Docosyl-3,4-dihydroxy-trans-cinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.