2-Butenoic acid, 3-methyl-4-(4-(phenylmethyl)phenoxy)-, ethyl ester
TL;DR: 2-Butenoic acid, 3-methyl-4-(4-(phenylmethyl)phenoxy)-, ethyl ester (CAS 52918-07-7) is a chemical compound with molecular formula C20H22O3 and molecular weight 310.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-4-(4-benzylphenoxy)-3-methylbut-2-enoate
Also Known As: 2-Butenoic acid, 3-methyl-4-(4-(phenylmethyl)phenoxy)-, ethyl ester, Ethyl 3-methyl-4-(4-(phenylmethyl)phenoxy)-2-butenoate, ethyl (E)-4-(4-benzylphenoxy)-3-methylbut-2-enoate, 3-Methyl-4-(4-(phenylmethyl)phenoxy)-2-butenoic acid
| Molecular Formula | C20H22O3 |
|---|---|
| Molecular Weight | 310.16 g/mol |
| LogP | 4.1656 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 310.1569 |
| Heavy Atoms | 23 |
| Complexity | 642.3468 |
Chemical Identifiers
| CAS Number | 52918-07-7 |
|---|---|
| SMILES | CCOC(=O)/C=C(\C)/COC1=CC=C(C=C1)CC2=CC=CC=C2 |
Product Overview
2-Butenoic acid, 3-methyl-4-(4-(phenylmethyl)phenoxy)-, ethyl ester (CAS 52918-07-7), with molecular formula C20H22O3 and molecular weight 310.16 g/mol. IUPAC: ethyl (E)-4-(4-benzylphenoxy)-3-methylbut-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 3-methyl-4-(4-(phenylmethyl)phenoxy)-, ethyl ester
Property Insights of 2-Butenoic acid, 3-methyl-4-(4-(phenylmethyl)phenoxy)-, ethyl ester
The XLogP value of 4.1656 indicates that 2-Butenoic acid, 3-methyl-4-(4-(phenylmethyl)phenoxy)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 2-Butenoic acid, 3-methyl-4-(4-(phenylmethyl)phenoxy)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 3-methyl-4-(4-(phenylmethyl)phenoxy)-, ethyl ester has 0 hydrogen bond donor(s) and 3 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-methyl-4-(4-(phenylmethyl)phenoxy)-, ethyl ester?
The CAS number of 2-Butenoic acid, 3-methyl-4-(4-(phenylmethyl)phenoxy)-, ethyl ester is 52918-07-7.
What is the molecular formula of 2-Butenoic acid, 3-methyl-4-(4-(phenylmethyl)phenoxy)-, ethyl ester?
The molecular formula of 2-Butenoic acid, 3-methyl-4-(4-(phenylmethyl)phenoxy)-, ethyl ester is C20H22O3.
What is the molecular weight of 2-Butenoic acid, 3-methyl-4-(4-(phenylmethyl)phenoxy)-, ethyl ester?
The molecular weight of 2-Butenoic acid, 3-methyl-4-(4-(phenylmethyl)phenoxy)-, ethyl ester is 310.16 g/mol.
Where can I buy 2-Butenoic acid, 3-methyl-4-(4-(phenylmethyl)phenoxy)-, ethyl ester?
You can request a quote for 2-Butenoic acid, 3-methyl-4-(4-(phenylmethyl)phenoxy)-, ethyl ester 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-methyl-4-(4-(phenylmethyl)phenoxy)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 3-methyl-4-(4-(phenylmethyl)phenoxy)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.