Apocarotenal
TL;DR: Apocarotenal (CAS 1107-26-2) is a chemical compound with molecular formula C30H40O and molecular weight 416.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohexen-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaenal
Also Known As: Apocarotenal, .beta.-Apocarotenal, beta-apo-8'-carotenal, C.I. Food Orange 6, (2E,4E,6E,8E,10E,12E,14E,16E)-2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohexen-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaenal
| Molecular Formula | C30H40O |
|---|---|
| Molecular Weight | 416.31 g/mol |
| LogP | 9.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 9 |
| Exact Mass | 416.30792 |
| Heavy Atoms | 31 |
| Complexity | 887.0 |
Chemical Identifiers
| CAS Number | 1107-26-2 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=O)C)C |
| InChIKey | DFMMVLFMMAQXHZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Apocarotenal (CAS 1107-26-2), with molecular formula C30H40O and molecular weight 416.31 g/mol. IUPAC: 2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohexen-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaenal.
Chemical Property Profile of Apocarotenal
Property Insights of Apocarotenal
The XLogP value of 9.4 indicates that Apocarotenal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Apocarotenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Apocarotenal 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 Apocarotenal?
The CAS number of Apocarotenal is 1107-26-2.
What is the molecular formula of Apocarotenal?
The molecular formula of Apocarotenal is C30H40O.
What is the molecular weight of Apocarotenal?
The molecular weight of Apocarotenal is 416.31 g/mol.
Where can I buy Apocarotenal?
You can request a quote for Apocarotenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Apocarotenal?
Yes, KEHONG BIO provides custom synthesis services for Apocarotenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.