7',8'-Didehydro-5,6-epoxy-6,7-dihydro-3,3'-dihydroxy-beta,beta-caroten-8(5H)-one
TL;DR: 7',8'-Didehydro-5,6-epoxy-6,7-dihydro-3,3'-dihydroxy-beta,beta-caroten-8(5H)-one (CAS 81306-52-7) is a chemical compound with molecular formula C40H54O4 and molecular weight 598.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
18-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-1-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15-heptaen-17-yn-2-one
Also Known As: 7',8'-Didehydro-5,6-epoxy-6,7-dihydro-3,3'-dihydroxy-beta,beta-caroten-8(5H)-one
| Molecular Formula | C40H54O4 |
|---|---|
| Molecular Weight | 598.40 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 598.4022 |
| Heavy Atoms | 44 |
| Complexity | 1440.0 |
Chemical Identifiers
| CAS Number | 81306-52-7 |
|---|---|
| SMILES | CC1=C(C(CC(C1)O)(C)C)C#CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C(=O)CC23C(CC(CC2(O3)C)O)(C)C)C)C |
| InChIKey | CNOIXMULOQWVGR-UHFFFAOYSA-N |
Product Overview
7',8'-Didehydro-5,6-epoxy-6,7-dihydro-3,3'-dihydroxy-beta,beta-caroten-8(5H)-one (CAS 81306-52-7), with molecular formula C40H54O4 and molecular weight 598.40 g/mol. IUPAC: 18-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-1-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15-heptaen-17-yn-2-one.
Chemical Property Profile of 7',8'-Didehydro-5,6-epoxy-6,7-dihydro-3,3'-dihydroxy-beta,beta-caroten-8(5H)-one
Property Insights of 7',8'-Didehydro-5,6-epoxy-6,7-dihydro-3,3'-dihydroxy-beta,beta-caroten-8(5H)-one
The XLogP value of 8.8 indicates that 7',8'-Didehydro-5,6-epoxy-6,7-dihydro-3,3'-dihydroxy-beta,beta-caroten-8(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 7',8'-Didehydro-5,6-epoxy-6,7-dihydro-3,3'-dihydroxy-beta,beta-caroten-8(5H)-one. Following Lipinski's Rule of Five, 7',8'-Didehydro-5,6-epoxy-6,7-dihydro-3,3'-dihydroxy-beta,beta-caroten-8(5H)-one has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7',8'-Didehydro-5,6-epoxy-6,7-dihydro-3,3'-dihydroxy-beta,beta-caroten-8(5H)-one?
The CAS number of 7',8'-Didehydro-5,6-epoxy-6,7-dihydro-3,3'-dihydroxy-beta,beta-caroten-8(5H)-one is 81306-52-7.
What is the molecular formula of 7',8'-Didehydro-5,6-epoxy-6,7-dihydro-3,3'-dihydroxy-beta,beta-caroten-8(5H)-one?
The molecular formula of 7',8'-Didehydro-5,6-epoxy-6,7-dihydro-3,3'-dihydroxy-beta,beta-caroten-8(5H)-one is C40H54O4.
What is the molecular weight of 7',8'-Didehydro-5,6-epoxy-6,7-dihydro-3,3'-dihydroxy-beta,beta-caroten-8(5H)-one?
The molecular weight of 7',8'-Didehydro-5,6-epoxy-6,7-dihydro-3,3'-dihydroxy-beta,beta-caroten-8(5H)-one is 598.40 g/mol.
Where can I buy 7',8'-Didehydro-5,6-epoxy-6,7-dihydro-3,3'-dihydroxy-beta,beta-caroten-8(5H)-one?
You can request a quote for 7',8'-Didehydro-5,6-epoxy-6,7-dihydro-3,3'-dihydroxy-beta,beta-caroten-8(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7',8'-Didehydro-5,6-epoxy-6,7-dihydro-3,3'-dihydroxy-beta,beta-caroten-8(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7',8'-Didehydro-5,6-epoxy-6,7-dihydro-3,3'-dihydroxy-beta,beta-caroten-8(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.