Capsanthol
TL;DR: Capsanthol (CAS 33981-79-2) is a chemical compound with molecular formula C40H58O3 and molecular weight 586.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-19-hydroxy-19-(4-hydroxy-1,2,2-trimethylcyclopentyl)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
Also Known As: Capsanthol, beta,kappa-Carotene-3,3',6'-triol, 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-19-hydroxy-19-(4-hydroxy-1,2,2-trimethylcyclopentyl)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol, RefChem:123317
| Molecular Formula | C40H58O3 |
|---|---|
| Molecular Weight | 586.44 g/mol |
| LogP | 9.5981 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 586.4386 |
| Heavy Atoms | 43 |
| Complexity | 1268.3099 |
Chemical Identifiers
| CAS Number | 33981-79-2 |
|---|---|
| SMILES | CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(C2(CC(CC2(C)C)O)C)O)/C)/C |
Product Overview
Capsanthol (CAS 33981-79-2), with molecular formula C40H58O3 and molecular weight 586.44 g/mol. IUPAC: 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-19-hydroxy-19-(4-hydroxy-1,2,2-trimethylcyclopentyl)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol.
Chemical Property Profile of Capsanthol
Property Insights of Capsanthol
The XLogP value of 9.5981 indicates that Capsanthol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.69 Ų falls within the moderate polarity range, balancing permeability and solubility for Capsanthol. Following Lipinski's Rule of Five, Capsanthol has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Capsanthol?
The CAS number of Capsanthol is 33981-79-2.
What is the molecular formula of Capsanthol?
The molecular formula of Capsanthol is C40H58O3.
What is the molecular weight of Capsanthol?
The molecular weight of Capsanthol is 586.44 g/mol.
Where can I buy Capsanthol?
You can request a quote for Capsanthol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Capsanthol?
Yes, KEHONG BIO provides custom synthesis services for Capsanthol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.