Heptyl-3-catechin
TL;DR: Heptyl-3-catechin (CAS 71628-07-4) is a chemical compound with molecular formula C22H28O6 and molecular weight 388.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S)-2-(3,4-dihydroxyphenyl)-3-heptoxy-3,4-dihydro-2H-chromene-5,7-diol
Also Known As: Heptyl-3-catechin, (2R,3S)-2-(3,4-DIHYDROXYPHENYL)-3-(HEPTYLOXY)-3,4-DIHYDRO-2H-1-BENZOPYRAN-5,7-DIOL, (2R-trans)-2-(3,4-Dihydroxyphenyl)-3-(heptyloxy)-3,4-dihydro-2H-1-benzopyran-5,7-diol, (2R,3S)-2-(3,4-dihydroxyphenyl)-3-heptoxy-3,4-dihydro-2H-chromene-5,7-diol, (2R)-2alpha-(3,4-Dihydroxyphenyl)-3beta-(heptyloxy)-3,4-dihydro-2H-1-benzopyran-5,7-diol
| Molecular Formula | C22H28O6 |
|---|---|
| Molecular Weight | 388.19 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 99.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 388.1886 |
| Heavy Atoms | 28 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 71628-07-4 |
|---|---|
| SMILES | CCCCCCCO[C@H]1CC2=C(C=C(C=C2O[C@@H]1C3=CC(=C(C=C3)O)O)O)O |
| InChIKey | DFUVOFPBVOQUIM-FCHUYYIVSA-N |
Product Overview
Heptyl-3-catechin (CAS 71628-07-4), with molecular formula C22H28O6 and molecular weight 388.19 g/mol. IUPAC: (2R,3S)-2-(3,4-dihydroxyphenyl)-3-heptoxy-3,4-dihydro-2H-chromene-5,7-diol.
Chemical Property Profile of Heptyl-3-catechin
Property Insights of Heptyl-3-catechin
The XLogP value of 3.8 indicates that Heptyl-3-catechin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Heptyl-3-catechin. Following Lipinski's Rule of Five, Heptyl-3-catechin has 4 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 Heptyl-3-catechin?
The CAS number of Heptyl-3-catechin is 71628-07-4.
What is the molecular formula of Heptyl-3-catechin?
The molecular formula of Heptyl-3-catechin is C22H28O6.
What is the molecular weight of Heptyl-3-catechin?
The molecular weight of Heptyl-3-catechin is 388.19 g/mol.
Where can I buy Heptyl-3-catechin?
You can request a quote for Heptyl-3-catechin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl-3-catechin?
Yes, KEHONG BIO provides custom synthesis services for Heptyl-3-catechin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.