Diatoxanthin
TL;DR: Diatoxanthin (CAS 31063-73-7) is a chemical compound with molecular formula C40H54O2 and molecular weight 566.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R)-4-[(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]-3,5,5-trimethylcyclohex-3-en-1-ol
Also Known As: Diatoxanthin, all-trans-Diatoxanthin, Diatoxanthin, analytical standard, Diatoxanthin/ 7,8-Didehydrozeaxanthin, 7,8-Didehydro-beta,beta-carotene-3R,3'R-diol
| Molecular Formula | C40H54O2 |
|---|---|
| Molecular Weight | 566.41 g/mol |
| LogP | 9.9946 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 566.41235 |
| Heavy Atoms | 42 |
| Complexity | 1343.3271 |
Chemical Identifiers
| CAS Number | 31063-73-7 |
|---|---|
| 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#CC2=C(C[C@H](CC2(C)C)O)C)/C)/C |
Product Overview
Diatoxanthin (CAS 31063-73-7), with molecular formula C40H54O2 and molecular weight 566.41 g/mol. IUPAC: (1R)-4-[(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]-3,5,5-trimethylcyclohex-3-en-1-ol.
Chemical Property Profile of Diatoxanthin
Property Insights of Diatoxanthin
The XLogP value of 9.9946 indicates that Diatoxanthin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, Diatoxanthin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diatoxanthin has 2 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 Diatoxanthin?
The CAS number of Diatoxanthin is 31063-73-7.
What is the molecular formula of Diatoxanthin?
The molecular formula of Diatoxanthin is C40H54O2.
What is the molecular weight of Diatoxanthin?
The molecular weight of Diatoxanthin is 566.41 g/mol.
Where can I buy Diatoxanthin?
You can request a quote for Diatoxanthin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diatoxanthin?
Yes, KEHONG BIO provides custom synthesis services for Diatoxanthin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.