Methyl 4-(3,4-methylenedioxyphenyl)butanoate
TL;DR: Methyl 4-(3,4-methylenedioxyphenyl)butanoate (CAS 119030-60-3) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(1,3-benzodioxol-5-yl)butanoate
Also Known As: Methyl 4-(3,4-methylenedioxyphenyl)butanoate, methyl 4-(1,3-benzodioxol-5-yl)butanoate, J2.404.902G, 1,3-Benzodioxole-5-butanoic acid methyl ester, 4-(benzo[1,3]dioxol-5-yl)butyric acid methyl ester
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 119030-60-3 |
|---|---|
| SMILES | COC(=O)CCCC1=CC2=C(C=C1)OCO2 |
| InChIKey | VHUABZULWQQCDI-UHFFFAOYSA-N |
Product Overview
Methyl 4-(3,4-methylenedioxyphenyl)butanoate (CAS 119030-60-3), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: methyl 4-(1,3-benzodioxol-5-yl)butanoate.
Chemical Property Profile of Methyl 4-(3,4-methylenedioxyphenyl)butanoate
Property Insights of Methyl 4-(3,4-methylenedioxyphenyl)butanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(3,4-methylenedioxyphenyl)butanoate. With a topological polar surface area (TPSA) of 44.8 Ų, Methyl 4-(3,4-methylenedioxyphenyl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(3,4-methylenedioxyphenyl)butanoate 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 Methyl 4-(3,4-methylenedioxyphenyl)butanoate?
The CAS number of Methyl 4-(3,4-methylenedioxyphenyl)butanoate is 119030-60-3.
What is the molecular formula of Methyl 4-(3,4-methylenedioxyphenyl)butanoate?
The molecular formula of Methyl 4-(3,4-methylenedioxyphenyl)butanoate is C12H14O4.
What is the molecular weight of Methyl 4-(3,4-methylenedioxyphenyl)butanoate?
The molecular weight of Methyl 4-(3,4-methylenedioxyphenyl)butanoate is 222.09 g/mol.
Where can I buy Methyl 4-(3,4-methylenedioxyphenyl)butanoate?
You can request a quote for Methyl 4-(3,4-methylenedioxyphenyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(3,4-methylenedioxyphenyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(3,4-methylenedioxyphenyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.