Methyl 6-fluoro-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)-
TL;DR: Methyl 6-fluoro-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)- (CAS 63700-89-0) is a chemical compound with molecular formula C22H27FO3 and molecular weight 358.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z,4Z,6E,8Z)-6-fluoro-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate
Also Known As: Methyl 6-fluoro-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)-, 2,4,6,8-Nonatetraenoic acid, 6-fluoro-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-, methyl ester, (all-E)-, methyl (2Z,4Z,6E,8Z)-6-fluoro-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate
| Molecular Formula | C22H27FO3 |
|---|---|
| Molecular Weight | 358.19 g/mol |
| LogP | 5.55266 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.19443 |
| Heavy Atoms | 26 |
| Complexity | 796.09564 |
Chemical Identifiers
| CAS Number | 63700-89-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1/C=C\C(=C(/C=C\C(=C/C(=O)OC)\C)\F)\C)C)C)OC |
Product Overview
Methyl 6-fluoro-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)- (CAS 63700-89-0), with molecular formula C22H27FO3 and molecular weight 358.19 g/mol. IUPAC: methyl (2Z,4Z,6E,8Z)-6-fluoro-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate.
Chemical Property Profile of Methyl 6-fluoro-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)-
Property Insights of Methyl 6-fluoro-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)-
The XLogP value of 5.55266 indicates that Methyl 6-fluoro-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Methyl 6-fluoro-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 6-fluoro-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 6-fluoro-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)-?
The CAS number of Methyl 6-fluoro-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)- is 63700-89-0.
What is the molecular formula of Methyl 6-fluoro-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)-?
The molecular formula of Methyl 6-fluoro-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)- is C22H27FO3.
What is the molecular weight of Methyl 6-fluoro-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)-?
The molecular weight of Methyl 6-fluoro-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)- is 358.19 g/mol.
Where can I buy Methyl 6-fluoro-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)-?
You can request a quote for Methyl 6-fluoro-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-fluoro-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)-?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-fluoro-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.