Ethyl 8'-apo-caroten-8'-oate
TL;DR: Ethyl 8'-apo-caroten-8'-oate (CAS 1109-11-1) is a chemical compound with molecular formula C32H44O2 and molecular weight 460.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohexen-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaenoate
Also Known As: Ethyl 8'-apo-caroten-8'-oate, CI 40825, ethyl (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-octaenoate, ethyl 2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohexen-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaenoate
| Molecular Formula | C32H44O2 |
|---|---|
| Molecular Weight | 460.33 g/mol |
| LogP | 10.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 460.33414 |
| Heavy Atoms | 34 |
| Complexity | 966.0 |
Chemical Identifiers
| CAS Number | 1109-11-1 |
|---|---|
| SMILES | CCOC(=O)C(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C)C)C |
| InChIKey | GIRXTOSJOKKBHO-UHFFFAOYSA-N |
Product Overview
Ethyl 8'-apo-caroten-8'-oate (CAS 1109-11-1), with molecular formula C32H44O2 and molecular weight 460.33 g/mol. IUPAC: ethyl 2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohexen-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaenoate.
Chemical Property Profile of Ethyl 8'-apo-caroten-8'-oate
Property Insights of Ethyl 8'-apo-caroten-8'-oate
The XLogP value of 10.1 indicates that Ethyl 8'-apo-caroten-8'-oate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 8'-apo-caroten-8'-oate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 8'-apo-caroten-8'-oate has 0 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 Ethyl 8'-apo-caroten-8'-oate?
The CAS number of Ethyl 8'-apo-caroten-8'-oate is 1109-11-1.
What is the molecular formula of Ethyl 8'-apo-caroten-8'-oate?
The molecular formula of Ethyl 8'-apo-caroten-8'-oate is C32H44O2.
What is the molecular weight of Ethyl 8'-apo-caroten-8'-oate?
The molecular weight of Ethyl 8'-apo-caroten-8'-oate is 460.33 g/mol.
Where can I buy Ethyl 8'-apo-caroten-8'-oate?
You can request a quote for Ethyl 8'-apo-caroten-8'-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 8'-apo-caroten-8'-oate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 8'-apo-caroten-8'-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.