2-Butenoic acid, 3-(4-methylphenyl)-, ethyl ester, (2E)-
TL;DR: 2-Butenoic acid, 3-(4-methylphenyl)-, ethyl ester, (2E)- (CAS 6305-61-9) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-(4-methylphenyl)but-2-enoate
Also Known As: ethyl -3- but-2-enoate, beta,4-Dimethylcinnamic acid ethyl ester, ETHYL (2E)-3-(4-METHYLPHENYL)BUT-2-ENOATE, ethyl (E)-3-(4-methylphenyl)but-2-enoate, (E)-3-(p-Tolyl)-2-butenoic acid ethyl ester
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 2.96142 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 360.62726 |
Chemical Identifiers
| CAS Number | 6305-61-9 |
|---|---|
| SMILES | CCOC(=O)/C=C(\C)/C1=CC=C(C=C1)C |
Product Overview
2-Butenoic acid, 3-(4-methylphenyl)-, ethyl ester, (2E)- (CAS 6305-61-9), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: ethyl (E)-3-(4-methylphenyl)but-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 3-(4-methylphenyl)-, ethyl ester, (2E)-
Property Insights of 2-Butenoic acid, 3-(4-methylphenyl)-, ethyl ester, (2E)-
The XLogP value of 2.96142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 3-(4-methylphenyl)-, ethyl ester, (2E)-. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Butenoic acid, 3-(4-methylphenyl)-, ethyl ester, (2E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 3-(4-methylphenyl)-, ethyl ester, (2E)- has 0 hydrogen bond donor(s) and 2 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 2-Butenoic acid, 3-(4-methylphenyl)-, ethyl ester, (2E)-?
The CAS number of 2-Butenoic acid, 3-(4-methylphenyl)-, ethyl ester, (2E)- is 6305-61-9.
What is the molecular formula of 2-Butenoic acid, 3-(4-methylphenyl)-, ethyl ester, (2E)-?
The molecular formula of 2-Butenoic acid, 3-(4-methylphenyl)-, ethyl ester, (2E)- is C13H16O2.
What is the molecular weight of 2-Butenoic acid, 3-(4-methylphenyl)-, ethyl ester, (2E)-?
The molecular weight of 2-Butenoic acid, 3-(4-methylphenyl)-, ethyl ester, (2E)- is 204.12 g/mol.
Where can I buy 2-Butenoic acid, 3-(4-methylphenyl)-, ethyl ester, (2E)-?
You can request a quote for 2-Butenoic acid, 3-(4-methylphenyl)-, ethyl ester, (2E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, 3-(4-methylphenyl)-, ethyl ester, (2E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 3-(4-methylphenyl)-, ethyl ester, (2E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.