5-(3,4-Methylenedioxyphenyl)pentanoic acid
TL;DR: 5-(3,4-Methylenedioxyphenyl)pentanoic acid (CAS 41917-46-8) 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.
5-(1,3-benzodioxol-5-yl)pentanoic acid
Also Known As: Piperhydronic acid, Tetrahydropiperic acid, 1,3-Benzodioxole-5-pentanoic acid, 5-(1,3-benzodioxol-5-yl)pentanoic acid, 5-(3,4-Methylenedioxyphenyl)pentanoic acid
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.2127 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 386.6052 |
Chemical Identifiers
| CAS Number | 41917-46-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CCCCC(=O)O |
Product Overview
5-(3,4-Methylenedioxyphenyl)pentanoic acid (CAS 41917-46-8), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yl)pentanoic acid.
Chemical Property Profile of 5-(3,4-Methylenedioxyphenyl)pentanoic acid
Property Insights of 5-(3,4-Methylenedioxyphenyl)pentanoic acid
The XLogP value of 2.2127 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3,4-Methylenedioxyphenyl)pentanoic acid. With a topological polar surface area (TPSA) of 55.76 Ų, 5-(3,4-Methylenedioxyphenyl)pentanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3,4-Methylenedioxyphenyl)pentanoic acid has 1 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 5-(3,4-Methylenedioxyphenyl)pentanoic acid?
The CAS number of 5-(3,4-Methylenedioxyphenyl)pentanoic acid is 41917-46-8.
What is the molecular formula of 5-(3,4-Methylenedioxyphenyl)pentanoic acid?
The molecular formula of 5-(3,4-Methylenedioxyphenyl)pentanoic acid is C12H14O4.
What is the molecular weight of 5-(3,4-Methylenedioxyphenyl)pentanoic acid?
The molecular weight of 5-(3,4-Methylenedioxyphenyl)pentanoic acid is 222.09 g/mol.
Where can I buy 5-(3,4-Methylenedioxyphenyl)pentanoic acid?
You can request a quote for 5-(3,4-Methylenedioxyphenyl)pentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,4-Methylenedioxyphenyl)pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,4-Methylenedioxyphenyl)pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.