硅甲黄素
TL;DR: 硅甲黄素 (CAS 18457-54-0) is a chemical compound with molecular formula C40H54O3 and molecular weight 582.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硅甲黄素
(1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
Also Known As: Diadinoxanthin, Diadinoxanthin A, Diadinoxanthin, analytical standard, (1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol, beta,beta-Carotene-3,3'-diol, 7',8'-didehydro-5,6-epoxy-5,6-dihydro-, (3S,3'R,5R,6S)-
| Molecular Formula | C40H54O3 |
|---|---|
| Molecular Weight | 582.41 g/mol |
| LogP | 9.2058 |
| Topological Polar Surface Area | 52.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 582.4073 |
| Heavy Atoms | 43 |
| Complexity | 1388.1067 |
Chemical Identifiers
| CAS Number | 18457-54-0 |
|---|---|
| SMILES | CC1=C(C(C[C@@H](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@]23[C@](O2)(C[C@H](CC3(C)C)O)C)/C)/C |
Product Overview
硅甲黄素 (CAS 18457-54-0), with molecular formula C40H54O3 and molecular weight 582.41 g/mol. IUPAC: (1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol.
Chemical Property Profile of 硅甲黄素
Property Insights of 硅甲黄素
The XLogP value of 9.2058 indicates that 硅甲黄素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.99 Ų, 硅甲黄素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硅甲黄素 has 2 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 硅甲黄素?
The CAS number of 硅甲黄素 is 18457-54-0.
What is the molecular formula of 硅甲黄素?
The molecular formula of 硅甲黄素 is C40H54O3.
What is the molecular weight of 硅甲黄素?
The molecular weight of 硅甲黄素 is 582.41 g/mol.
Where can I buy 硅甲黄素?
You can request a quote for 硅甲黄素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硅甲黄素?
Yes, KEHONG BIO provides custom synthesis services for 硅甲黄素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.