3-O-Palmitoyl-(+)-catechin
TL;DR: 3-O-Palmitoyl-(+)-catechin (CAS 71634-82-7) is a chemical compound with molecular formula C31H44O7 and molecular weight 528.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] hexadecanoate
Also Known As: 3-Palmitoylcatechin, 3-o-palmitoyl-(+)-catechin, -2-3,4-dihydro-5,7-dihydroxy-2h-1-benzopyran-3-ylpalmitate, (2R-trans)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl palmitate, -2- -3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-ylpalmitate
| Molecular Formula | C31H44O7 |
|---|---|
| Molecular Weight | 528.31 g/mol |
| LogP | 8.3 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 17 |
| Exact Mass | 528.3087 |
| Heavy Atoms | 38 |
| Complexity | 658.0 |
Chemical Identifiers
| CAS Number | 71634-82-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)O[C@H]1CC2=C(C=C(C=C2O[C@@H]1C3=CC(=C(C=C3)O)O)O)O |
| InChIKey | HZXGLEQMLNKLOA-IGYGKHONSA-N |
Product Overview
3-O-Palmitoyl-(+)-catechin (CAS 71634-82-7), with molecular formula C31H44O7 and molecular weight 528.31 g/mol. IUPAC: [(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] hexadecanoate.
Chemical Property Profile of 3-O-Palmitoyl-(+)-catechin
Property Insights of 3-O-Palmitoyl-(+)-catechin
The XLogP value of 8.3 indicates that 3-O-Palmitoyl-(+)-catechin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-O-Palmitoyl-(+)-catechin. Following Lipinski's Rule of Five, 3-O-Palmitoyl-(+)-catechin has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-O-Palmitoyl-(+)-catechin?
The CAS number of 3-O-Palmitoyl-(+)-catechin is 71634-82-7.
What is the molecular formula of 3-O-Palmitoyl-(+)-catechin?
The molecular formula of 3-O-Palmitoyl-(+)-catechin is C31H44O7.
What is the molecular weight of 3-O-Palmitoyl-(+)-catechin?
The molecular weight of 3-O-Palmitoyl-(+)-catechin is 528.31 g/mol.
Where can I buy 3-O-Palmitoyl-(+)-catechin?
You can request a quote for 3-O-Palmitoyl-(+)-catechin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O-Palmitoyl-(+)-catechin?
Yes, KEHONG BIO provides custom synthesis services for 3-O-Palmitoyl-(+)-catechin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.