alpha-Doradexanthin
TL;DR: alpha-Doradexanthin (CAS 29125-77-7) 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.
(6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4S)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one
Also Known As: alpha-Doradexanthin, PAPILIOERYTHRIN, .ALPHA.-DORADEXANTHIN, alpha-Doradexanthin/ (3S,3'S,6'R)-4-Ketolutein, (6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4S)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one
| Molecular Formula | C40H54O3 |
|---|---|
| Molecular Weight | 582.41 g/mol |
| LogP | 9.5823 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 582.4073 |
| Heavy Atoms | 43 |
| Complexity | 1355.689 |
Chemical Identifiers
| CAS Number | 29125-77-7 |
|---|---|
| SMILES | CC1=C[C@H](CC([C@H]1/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)[C@H](CC2(C)C)O)C)/C)/C)(C)C)O |
Product Overview
alpha-Doradexanthin (CAS 29125-77-7), with molecular formula C40H54O3 and molecular weight 582.41 g/mol. IUPAC: (6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4S)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one.
Chemical Property Profile of alpha-Doradexanthin
Property Insights of alpha-Doradexanthin
The XLogP value of 9.5823 indicates that alpha-Doradexanthin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, alpha-Doradexanthin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Doradexanthin 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 alpha-Doradexanthin?
The CAS number of alpha-Doradexanthin is 29125-77-7.
What is the molecular formula of alpha-Doradexanthin?
The molecular formula of alpha-Doradexanthin is C40H54O3.
What is the molecular weight of alpha-Doradexanthin?
The molecular weight of alpha-Doradexanthin is 582.41 g/mol.
Where can I buy alpha-Doradexanthin?
You can request a quote for alpha-Doradexanthin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Doradexanthin?
Yes, KEHONG BIO provides custom synthesis services for alpha-Doradexanthin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.