![5-[3,4-(Methylenedioxy)phenyl]-5-oxovaleric acid structure](/static/products/879/87961-41-9.png)
5-[3,4-(Methylenedioxy)phenyl]-5-oxovaleric acid
TL;DR: 5-[3,4-(Methylenedioxy)phenyl]-5-oxovaleric acid (CAS 87961-41-9) is a chemical compound with molecular formula C12H12O5 and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-yl)-5-oxopentanoic acid
Also Known As: 5-[3,4-(Methylenedioxy)phenyl]-5-oxovaleric acid, 5-(1,3-Benzodioxol-5-yl)-5-oxopentanoic acid, 1,3-Benzodioxole-5-(5-keto-pentanoic acid, delta-Oxo-1,3-benzodioxole-5-valeric acid, 1,3-Benzodioxole-5-(5-oxo-pentanoic acid)
| Molecular Formula | C12H12O5 |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.06847 |
| Heavy Atoms | 17 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 87961-41-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)CCCC(=O)O |
| InChIKey | IFIGQTZWMXLWRC-UHFFFAOYSA-N |
Product Overview
5-[3,4-(Methylenedioxy)phenyl]-5-oxovaleric acid (CAS 87961-41-9), with molecular formula C12H12O5 and molecular weight 236.07 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yl)-5-oxopentanoic acid.
Chemical Property Profile of 5-[3,4-(Methylenedioxy)phenyl]-5-oxovaleric acid
Property Insights of 5-[3,4-(Methylenedioxy)phenyl]-5-oxovaleric acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[3,4-(Methylenedioxy)phenyl]-5-oxovaleric acid. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[3,4-(Methylenedioxy)phenyl]-5-oxovaleric acid. Following Lipinski's Rule of Five, 5-[3,4-(Methylenedioxy)phenyl]-5-oxovaleric acid has 1 hydrogen bond donor(s) and 5 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-(Methylenedioxy)phenyl]-5-oxovaleric acid?
The CAS number of 5-[3,4-(Methylenedioxy)phenyl]-5-oxovaleric acid is 87961-41-9.
What is the molecular formula of 5-[3,4-(Methylenedioxy)phenyl]-5-oxovaleric acid?
The molecular formula of 5-[3,4-(Methylenedioxy)phenyl]-5-oxovaleric acid is C12H12O5.
What is the molecular weight of 5-[3,4-(Methylenedioxy)phenyl]-5-oxovaleric acid?
The molecular weight of 5-[3,4-(Methylenedioxy)phenyl]-5-oxovaleric acid is 236.07 g/mol.
Where can I buy 5-[3,4-(Methylenedioxy)phenyl]-5-oxovaleric acid?
You can request a quote for 5-[3,4-(Methylenedioxy)phenyl]-5-oxovaleric 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-(Methylenedioxy)phenyl]-5-oxovaleric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[3,4-(Methylenedioxy)phenyl]-5-oxovaleric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.