![2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluorophenyl 2-methylbenzoate structure](/static/products/116/1164534-90-0.png)
2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluorophenyl 2-methylbenzoate
TL;DR: 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluorophenyl 2-methylbenzoate (CAS 1164534-90-0) is a chemical compound with molecular formula C25H21FO5 and molecular weight 420.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluorophenyl] 2-methylbenzoate
Also Known As: BRD-K67036942-001-07-5, 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluorophenyl 2-methylbenzoate, (E)-2-(3-(3,4-dimethoxyphenyl)acryloyl)-4-fluorophenyl 2-methylbenzoate, [2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluorophenyl] 2-methylbenzoate, 2-Methyl-benzoic acid 2-[(E)-3-(3,4-dimethoxy-phenyl)-acryloyl]-4-fluoro-phenyl ester
| Molecular Formula | C25H21FO5 |
|---|---|
| Molecular Weight | 420.14 g/mol |
| LogP | 5.26662 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.1373 |
| Heavy Atoms | 31 |
| Complexity | 1150.3993 |
Chemical Identifiers
| CAS Number | 1164534-90-0 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)F)C(=O)/C=C/C3=CC(=C(C=C3)OC)OC |
Product Overview
2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluorophenyl 2-methylbenzoate (CAS 1164534-90-0), with molecular formula C25H21FO5 and molecular weight 420.14 g/mol. IUPAC: [2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluorophenyl] 2-methylbenzoate.
Chemical Property Profile of 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluorophenyl 2-methylbenzoate
Property Insights of 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluorophenyl 2-methylbenzoate
The XLogP value of 5.26662 indicates that 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluorophenyl 2-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluorophenyl 2-methylbenzoate. Following Lipinski's Rule of Five, 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluorophenyl 2-methylbenzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluorophenyl 2-methylbenzoate?
The CAS number of 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluorophenyl 2-methylbenzoate is 1164534-90-0.
What is the molecular formula of 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluorophenyl 2-methylbenzoate?
The molecular formula of 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluorophenyl 2-methylbenzoate is C25H21FO5.
What is the molecular weight of 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluorophenyl 2-methylbenzoate?
The molecular weight of 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluorophenyl 2-methylbenzoate is 420.14 g/mol.
Where can I buy 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluorophenyl 2-methylbenzoate?
You can request a quote for 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluorophenyl 2-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluorophenyl 2-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluorophenyl 2-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.