Ethyl 2-fluoro-9-(4-methoxy-2,5-dimethyl-1,3-cyclohexadien-1-yl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)-
TL;DR: Ethyl 2-fluoro-9-(4-methoxy-2,5-dimethyl-1,3-cyclohexadien-1-yl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)- (CAS 73033-35-9) is a chemical compound with molecular formula C22H29FO3 and molecular weight 360.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E,4Z,6Z,8Z)-2-fluoro-9-(4-methoxy-2,5-dimethylcyclohexa-1,3-dien-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenoate
Also Known As: Ethyl 2-fluoro-9-(4-methoxy-2,5-dimethyl-1,3-cyclohexadien-1-yl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)-, 2,4,6,8-Nonatetraenoic acid, 2-fluoro-9-(4-methoxy-2,5-dimethyl-1,3-cyclohexadien-1-yl)-3,7-dimethyl-, ethyl ester, (all-E)-, ethyl (2E,4Z,6Z,8Z)-2-fluoro-9-(4-methoxy-2,5-dimethylcyclohexa-1,3-dien-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenoate
| Molecular Formula | C22H29FO3 |
|---|---|
| Molecular Weight | 360.21 g/mol |
| LogP | 5.7383 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 360.21008 |
| Heavy Atoms | 26 |
| Complexity | 702.899 |
Chemical Identifiers
| CAS Number | 73033-35-9 |
|---|---|
| SMILES | CCOC(=O)/C(=C(/C)\C=C/C=C(/C)\C=C/C1=C(C=C(C(C1)C)OC)C)/F |
Product Overview
Ethyl 2-fluoro-9-(4-methoxy-2,5-dimethyl-1,3-cyclohexadien-1-yl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)- (CAS 73033-35-9), with molecular formula C22H29FO3 and molecular weight 360.21 g/mol. IUPAC: ethyl (2E,4Z,6Z,8Z)-2-fluoro-9-(4-methoxy-2,5-dimethylcyclohexa-1,3-dien-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenoate.
Chemical Property Profile of Ethyl 2-fluoro-9-(4-methoxy-2,5-dimethyl-1,3-cyclohexadien-1-yl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)-
Property Insights of Ethyl 2-fluoro-9-(4-methoxy-2,5-dimethyl-1,3-cyclohexadien-1-yl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)-
The XLogP value of 5.7383 indicates that Ethyl 2-fluoro-9-(4-methoxy-2,5-dimethyl-1,3-cyclohexadien-1-yl)-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, Ethyl 2-fluoro-9-(4-methoxy-2,5-dimethyl-1,3-cyclohexadien-1-yl)-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, Ethyl 2-fluoro-9-(4-methoxy-2,5-dimethyl-1,3-cyclohexadien-1-yl)-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 Ethyl 2-fluoro-9-(4-methoxy-2,5-dimethyl-1,3-cyclohexadien-1-yl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)-?
The CAS number of Ethyl 2-fluoro-9-(4-methoxy-2,5-dimethyl-1,3-cyclohexadien-1-yl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)- is 73033-35-9.
What is the molecular formula of Ethyl 2-fluoro-9-(4-methoxy-2,5-dimethyl-1,3-cyclohexadien-1-yl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)-?
The molecular formula of Ethyl 2-fluoro-9-(4-methoxy-2,5-dimethyl-1,3-cyclohexadien-1-yl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)- is C22H29FO3.
What is the molecular weight of Ethyl 2-fluoro-9-(4-methoxy-2,5-dimethyl-1,3-cyclohexadien-1-yl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)-?
The molecular weight of Ethyl 2-fluoro-9-(4-methoxy-2,5-dimethyl-1,3-cyclohexadien-1-yl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)- is 360.21 g/mol.
Where can I buy Ethyl 2-fluoro-9-(4-methoxy-2,5-dimethyl-1,3-cyclohexadien-1-yl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)-?
You can request a quote for Ethyl 2-fluoro-9-(4-methoxy-2,5-dimethyl-1,3-cyclohexadien-1-yl)-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 Ethyl 2-fluoro-9-(4-methoxy-2,5-dimethyl-1,3-cyclohexadien-1-yl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)-?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-fluoro-9-(4-methoxy-2,5-dimethyl-1,3-cyclohexadien-1-yl)-3,7-dimethyl-2,4,6,8-nonatetraenoate (all-E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.