1,3-Benzodioxole-5-butanoic acid, alpha-hydroxy-gamma-oxo-
TL;DR: 1,3-Benzodioxole-5-butanoic acid, alpha-hydroxy-gamma-oxo- (CAS 84609-14-3) is a chemical compound with molecular formula C11H10O6 and molecular weight 238.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)-2-hydroxy-4-oxobutanoic acid
Also Known As: alpha-Hydroxy-gamma-oxo-1,3-benzodioxole-5-butanoic acid, 1,3-Benzodioxole-5-butanoic acid, alpha-hydroxy-gamma-oxo-, 4-(1,3-benzodioxol-5-yl)-2-hydroxy-4-oxobutanoic acid, 4-(3,4-Methylenedioxyphenyl)-4-oxo-2-hydroxy butenoique acide, 4-(3,4-Methylenedioxyphenyl)-4-oxo-2-hydroxy butenoique acide [French]
| Molecular Formula | C11H10O6 |
|---|---|
| Molecular Weight | 238.05 g/mol |
| LogP | 0.4336 |
| Topological Polar Surface Area | 93.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.04774 |
| Heavy Atoms | 17 |
| Complexity | 467.0295 |
Chemical Identifiers
| CAS Number | 84609-14-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)CC(C(=O)O)O |
Product Overview
1,3-Benzodioxole-5-butanoic acid, alpha-hydroxy-gamma-oxo- (CAS 84609-14-3), with molecular formula C11H10O6 and molecular weight 238.05 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-2-hydroxy-4-oxobutanoic acid.
Chemical Property Profile of 1,3-Benzodioxole-5-butanoic acid, alpha-hydroxy-gamma-oxo-
Property Insights of 1,3-Benzodioxole-5-butanoic acid, alpha-hydroxy-gamma-oxo-
The XLogP value of 0.4336 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole-5-butanoic acid, alpha-hydroxy-gamma-oxo-. The TPSA of 93.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzodioxole-5-butanoic acid, alpha-hydroxy-gamma-oxo-. Following Lipinski's Rule of Five, 1,3-Benzodioxole-5-butanoic acid, alpha-hydroxy-gamma-oxo- has 2 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 1,3-Benzodioxole-5-butanoic acid, alpha-hydroxy-gamma-oxo-?
The CAS number of 1,3-Benzodioxole-5-butanoic acid, alpha-hydroxy-gamma-oxo- is 84609-14-3.
What is the molecular formula of 1,3-Benzodioxole-5-butanoic acid, alpha-hydroxy-gamma-oxo-?
The molecular formula of 1,3-Benzodioxole-5-butanoic acid, alpha-hydroxy-gamma-oxo- is C11H10O6.
What is the molecular weight of 1,3-Benzodioxole-5-butanoic acid, alpha-hydroxy-gamma-oxo-?
The molecular weight of 1,3-Benzodioxole-5-butanoic acid, alpha-hydroxy-gamma-oxo- is 238.05 g/mol.
Where can I buy 1,3-Benzodioxole-5-butanoic acid, alpha-hydroxy-gamma-oxo-?
You can request a quote for 1,3-Benzodioxole-5-butanoic acid, alpha-hydroxy-gamma-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole-5-butanoic acid, alpha-hydroxy-gamma-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-5-butanoic acid, alpha-hydroxy-gamma-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.