3-Hydroxy-b,e-caroten-3'-one
TL;DR: 3-Hydroxy-b,e-caroten-3'-one (CAS 32729-11-6) 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.
4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethylcyclohexen-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-Hydroxy-b,e-caroten-3'-one, (3R,.epsilon.-caroten-3-one, 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one, 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethylcyclohexen-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
| Molecular Formula | C40H54O2 |
|---|---|
| Molecular Weight | 566.41 g/mol |
| LogP | 10.6115 |
| 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 | 1319.0193 |
Chemical Identifiers
| CAS Number | 32729-11-6 |
|---|---|
| SMILES | CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2C(=CC(=O)CC2(C)C)C)/C)/C |
Product Overview
3-Hydroxy-b,e-caroten-3'-one (CAS 32729-11-6), with molecular formula C40H54O2 and molecular weight 566.41 g/mol. IUPAC: 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethylcyclohexen-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-Hydroxy-b,e-caroten-3'-one
Property Insights of 3-Hydroxy-b,e-caroten-3'-one
The XLogP value of 10.6115 indicates that 3-Hydroxy-b,e-caroten-3'-one 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-Hydroxy-b,e-caroten-3'-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-b,e-caroten-3'-one 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-Hydroxy-b,e-caroten-3'-one?
The CAS number of 3-Hydroxy-b,e-caroten-3'-one is 32729-11-6.
What is the molecular formula of 3-Hydroxy-b,e-caroten-3'-one?
The molecular formula of 3-Hydroxy-b,e-caroten-3'-one is C40H54O2.
What is the molecular weight of 3-Hydroxy-b,e-caroten-3'-one?
The molecular weight of 3-Hydroxy-b,e-caroten-3'-one is 566.41 g/mol.
Where can I buy 3-Hydroxy-b,e-caroten-3'-one?
You can request a quote for 3-Hydroxy-b,e-caroten-3'-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-b,e-caroten-3'-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-b,e-caroten-3'-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.