(E)-3-methoxycarbonyl-4-phenyl-3-butenoic acid methyl ester
TL;DR: (E)-3-methoxycarbonyl-4-phenyl-3-butenoic acid methyl ester (CAS 65859-90-7) is a chemical compound with molecular formula C13H14O4 and molecular weight 234.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (2E)-2-benzylidenebutanedioate
Also Known As: Dimethyl 2-benzylidenebutanedioate, dimethyl (2E)-2-benzylidenebutanedioate, 2-Benzylidenesuccinic acid dimethyl ester, (e)-benzylidenesuccinic acid dimethyl ester, (E)-3-methoxycarbonyl-4-phenyl-3-butenoic acid methyl ester
| Molecular Formula | C13H14O4 |
|---|---|
| Molecular Weight | 234.09 g/mol |
| LogP | 1.8061 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.0892 |
| Heavy Atoms | 17 |
| Complexity | 420.30542 |
Chemical Identifiers
| CAS Number | 65859-90-7 |
|---|---|
| SMILES | COC(=O)C/C(=C\C1=CC=CC=C1)/C(=O)OC |
Product Overview
(E)-3-methoxycarbonyl-4-phenyl-3-butenoic acid methyl ester (CAS 65859-90-7), with molecular formula C13H14O4 and molecular weight 234.09 g/mol. IUPAC: dimethyl (2E)-2-benzylidenebutanedioate.
Chemical Property Profile of (E)-3-methoxycarbonyl-4-phenyl-3-butenoic acid methyl ester
Property Insights of (E)-3-methoxycarbonyl-4-phenyl-3-butenoic acid methyl ester
The XLogP value of 1.8061 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-methoxycarbonyl-4-phenyl-3-butenoic acid methyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, (E)-3-methoxycarbonyl-4-phenyl-3-butenoic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-methoxycarbonyl-4-phenyl-3-butenoic acid methyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-3-methoxycarbonyl-4-phenyl-3-butenoic acid methyl ester?
The CAS number of (E)-3-methoxycarbonyl-4-phenyl-3-butenoic acid methyl ester is 65859-90-7.
What is the molecular formula of (E)-3-methoxycarbonyl-4-phenyl-3-butenoic acid methyl ester?
The molecular formula of (E)-3-methoxycarbonyl-4-phenyl-3-butenoic acid methyl ester is C13H14O4.
What is the molecular weight of (E)-3-methoxycarbonyl-4-phenyl-3-butenoic acid methyl ester?
The molecular weight of (E)-3-methoxycarbonyl-4-phenyl-3-butenoic acid methyl ester is 234.09 g/mol.
Where can I buy (E)-3-methoxycarbonyl-4-phenyl-3-butenoic acid methyl ester?
You can request a quote for (E)-3-methoxycarbonyl-4-phenyl-3-butenoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-methoxycarbonyl-4-phenyl-3-butenoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-methoxycarbonyl-4-phenyl-3-butenoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.