13-Apo-beta-carotenone
TL;DR: 13-Apo-beta-carotenone (CAS 85354-07-0) is a chemical compound with molecular formula C18H26O and molecular weight 258.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E,5E,7E)-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5,7-trien-2-one
Also Known As: beta-Apo-13-carotenone, 13-apo-beta-carotenone, A-Apo-13-carotenone, (beta)-Apo-13-carotenone, ??Apo-13-carotenone
| Molecular Formula | C18H26O |
|---|---|
| Molecular Weight | 258.20 g/mol |
| LogP | 5.1607 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.19836 |
| Heavy Atoms | 19 |
| Complexity | 456.08197 |
Chemical Identifiers
| CAS Number | 85354-07-0 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=O)C)/C |
Product Overview
13-Apo-beta-carotenone (CAS 85354-07-0), with molecular formula C18H26O and molecular weight 258.20 g/mol. IUPAC: (3E,5E,7E)-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5,7-trien-2-one.
Chemical Property Profile of 13-Apo-beta-carotenone
Property Insights of 13-Apo-beta-carotenone
The XLogP value of 5.1607 indicates that 13-Apo-beta-carotenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 13-Apo-beta-carotenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 13-Apo-beta-carotenone has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 13-Apo-beta-carotenone?
The CAS number of 13-Apo-beta-carotenone is 85354-07-0.
What is the molecular formula of 13-Apo-beta-carotenone?
The molecular formula of 13-Apo-beta-carotenone is C18H26O.
What is the molecular weight of 13-Apo-beta-carotenone?
The molecular weight of 13-Apo-beta-carotenone is 258.20 g/mol.
Where can I buy 13-Apo-beta-carotenone?
You can request a quote for 13-Apo-beta-carotenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-Apo-beta-carotenone?
Yes, KEHONG BIO provides custom synthesis services for 13-Apo-beta-carotenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.