3'-Oxolutein
TL;DR: 3'-Oxolutein (CAS 23984-55-6) 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.
(4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(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]-3,5,5-trimethylcyclohex-2-en-1-one
Also Known As: 3'-Oxolutein, 3-Hydroxy-3'-oxo-beta,epsilon-carotene, (4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(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]-3,5,5-trimethylcyclohex-2-en-1-one, beta,epsilon-Caroten-3'-one, 3-hydroxy-, (3R,6'R)-, 3'-Dehydrolutein/Philosamiaxanthin/3-Hydroxy-beta,epsilon-caroten-3'-one
| Molecular Formula | C40H54O2 |
|---|---|
| Molecular Weight | 566.41 g/mol |
| LogP | 10.4674 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 566.41235 |
| Heavy Atoms | 42 |
| Complexity | 1304.775 |
Chemical Identifiers
| CAS Number | 23984-55-6 |
|---|---|
| SMILES | CC1=C[C@H](CC(C1/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(=CC(=O)CC2(C)C)C)/C)/C)(C)C)O |
Product Overview
3'-Oxolutein (CAS 23984-55-6), with molecular formula C40H54O2 and molecular weight 566.41 g/mol. IUPAC: (4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(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]-3,5,5-trimethylcyclohex-2-en-1-one.
Chemical Property Profile of 3'-Oxolutein
Property Insights of 3'-Oxolutein
The XLogP value of 10.4674 indicates that 3'-Oxolutein is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3'-Oxolutein exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3'-Oxolutein has 1 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 3'-Oxolutein?
The CAS number of 3'-Oxolutein is 23984-55-6.
What is the molecular formula of 3'-Oxolutein?
The molecular formula of 3'-Oxolutein is C40H54O2.
What is the molecular weight of 3'-Oxolutein?
The molecular weight of 3'-Oxolutein is 566.41 g/mol.
Where can I buy 3'-Oxolutein?
You can request a quote for 3'-Oxolutein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Oxolutein?
Yes, KEHONG BIO provides custom synthesis services for 3'-Oxolutein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.