(3S,3'S)-4',5'-Didehydro-4,5'-retro-beta,beta-carotene-3,3'-diol
TL;DR: (3S,3'S)-4',5'-Didehydro-4,5'-retro-beta,beta-carotene-3,3'-diol (CAS 472-75-3) 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.
(1S,4E)-4-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-ylidene]-3,7,12,16-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenylidene]-3,5,5-trimethylcyclohex-2-en-1-ol
Also Known As: Eschscholtzxanthin, (1S,4E)-4-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-ylidene]-3,7,12,16-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenylidene]-3,5,5-trimethylcyclohex-2-en-1-ol, (3S,3'S)-4',5'-Didehydro-4,5'-retro-beta,beta-carotene-3,3'-diol, (3S,3 S)-4 ,5 -Didehydro-4,5 -retro-beta,beta-carotene-3,3 -diol, (1S)-4-[(2E,4E,6E,8E,10E,12E,14E,16E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-ylidene]-3,7,12,16-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaen-1-ylidene]-3,5,5-trimethylcyclohex-2-en-1-ol
| Molecular Formula | C40H54O2 |
|---|---|
| Molecular Weight | 566.41 g/mol |
| LogP | 10.3234 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 566.41235 |
| Heavy Atoms | 42 |
| Complexity | 1229.2916 |
Chemical Identifiers
| CAS Number | 472-75-3 |
|---|---|
| SMILES | CC\1=C[C@H](CC(/C1=C\C=C(\C=C\C=C(\C=C\C=C\C(=C\C=C\C(=C\C=C\2/C(C[C@@H](C=C2C)O)(C)C)\C)\C)/C)/C)(C)C)O |
Product Overview
(3S,3'S)-4',5'-Didehydro-4,5'-retro-beta,beta-carotene-3,3'-diol (CAS 472-75-3), with molecular formula C40H54O2 and molecular weight 566.41 g/mol. IUPAC: (1S,4E)-4-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-ylidene]-3,7,12,16-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenylidene]-3,5,5-trimethylcyclohex-2-en-1-ol.
Chemical Property Profile of (3S,3'S)-4',5'-Didehydro-4,5'-retro-beta,beta-carotene-3,3'-diol
Property Insights of (3S,3'S)-4',5'-Didehydro-4,5'-retro-beta,beta-carotene-3,3'-diol
The XLogP value of 10.3234 indicates that (3S,3'S)-4',5'-Didehydro-4,5'-retro-beta,beta-carotene-3,3'-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, (3S,3'S)-4',5'-Didehydro-4,5'-retro-beta,beta-carotene-3,3'-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S,3'S)-4',5'-Didehydro-4,5'-retro-beta,beta-carotene-3,3'-diol 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 (3S,3'S)-4',5'-Didehydro-4,5'-retro-beta,beta-carotene-3,3'-diol?
The CAS number of (3S,3'S)-4',5'-Didehydro-4,5'-retro-beta,beta-carotene-3,3'-diol is 472-75-3.
What is the molecular formula of (3S,3'S)-4',5'-Didehydro-4,5'-retro-beta,beta-carotene-3,3'-diol?
The molecular formula of (3S,3'S)-4',5'-Didehydro-4,5'-retro-beta,beta-carotene-3,3'-diol is C40H54O2.
What is the molecular weight of (3S,3'S)-4',5'-Didehydro-4,5'-retro-beta,beta-carotene-3,3'-diol?
The molecular weight of (3S,3'S)-4',5'-Didehydro-4,5'-retro-beta,beta-carotene-3,3'-diol is 566.41 g/mol.
Where can I buy (3S,3'S)-4',5'-Didehydro-4,5'-retro-beta,beta-carotene-3,3'-diol?
You can request a quote for (3S,3'S)-4',5'-Didehydro-4,5'-retro-beta,beta-carotene-3,3'-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S,3'S)-4',5'-Didehydro-4,5'-retro-beta,beta-carotene-3,3'-diol?
Yes, KEHONG BIO provides custom synthesis services for (3S,3'S)-4',5'-Didehydro-4,5'-retro-beta,beta-carotene-3,3'-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.