角黄素
TL;DR: 角黄素 (CAS 514-78-3) is a chemical compound with molecular formula C40H52O2 and molecular weight 564.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
角黄素
2,4,4-trimethyl-3-[3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one
Also Known As: Canthaxanthin, Aphanicin, Canthaxanthin (trans), All-trans-Canthaxanthin, beta-Carotin-4,4'-dione
| Molecular Formula | C40H52O2 |
|---|---|
| Molecular Weight | 564.40 g/mol |
| LogP | 11.4 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 564.3967 |
| Heavy Atoms | 42 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 514-78-3 |
|---|---|
| SMILES | CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)CCC2(C)C)C)C)C |
| InChIKey | FDSDTBUPSURDBL-UHFFFAOYSA-N |
Product Overview
角黄素 (CAS 514-78-3), with molecular formula C40H52O2 and molecular weight 564.40 g/mol. IUPAC: 2,4,4-trimethyl-3-[3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one.
Chemical Property Profile of 角黄素
Property Insights of 角黄素
The XLogP value of 11.4 indicates that 角黄素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 角黄素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 角黄素 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 角黄素?
The CAS number of 角黄素 is 514-78-3.
What is the molecular formula of 角黄素?
The molecular formula of 角黄素 is C40H52O2.
What is the molecular weight of 角黄素?
The molecular weight of 角黄素 is 564.40 g/mol.
Where can I buy 角黄素?
You can request a quote for 角黄素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 角黄素?
Yes, KEHONG BIO provides custom synthesis services for 角黄素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.