8'-Apo-beta-carotene methyl ester
TL;DR: 8'-Apo-beta-carotene methyl ester (CAS 4273-73-8) is a chemical compound with molecular formula C31H42O2 and molecular weight 446.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 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: 8'-Apo-beta-carotene methyl ester
| Molecular Formula | C31H42O2 |
|---|---|
| Molecular Weight | 446.32 g/mol |
| LogP | 9.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 446.31848 |
| Heavy Atoms | 33 |
| Complexity | 951.0 |
Chemical Identifiers
| CAS Number | 4273-73-8 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC)C)C |
| InChIKey | WWGLUXSMFKKERG-UHFFFAOYSA-N |
Product Overview
8'-Apo-beta-carotene methyl ester (CAS 4273-73-8), with molecular formula C31H42O2 and molecular weight 446.32 g/mol. IUPAC: methyl 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 8'-Apo-beta-carotene methyl ester
Property Insights of 8'-Apo-beta-carotene methyl ester
The XLogP value of 9.8 indicates that 8'-Apo-beta-carotene methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 8'-Apo-beta-carotene methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8'-Apo-beta-carotene methyl ester 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 8'-Apo-beta-carotene methyl ester?
The CAS number of 8'-Apo-beta-carotene methyl ester is 4273-73-8.
What is the molecular formula of 8'-Apo-beta-carotene methyl ester?
The molecular formula of 8'-Apo-beta-carotene methyl ester is C31H42O2.
What is the molecular weight of 8'-Apo-beta-carotene methyl ester?
The molecular weight of 8'-Apo-beta-carotene methyl ester is 446.32 g/mol.
Where can I buy 8'-Apo-beta-carotene methyl ester?
You can request a quote for 8'-Apo-beta-carotene methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8'-Apo-beta-carotene methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 8'-Apo-beta-carotene methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.