![Piperonylic acid, 6-O-[(3,3'-dimethyl)propyl]- structure](/static/products/959/959286-18-1.png)
Piperonylic acid, 6-O-[(3,3'-dimethyl)propyl]-
TL;DR: Piperonylic acid, 6-O-[(3,3'-dimethyl)propyl]- (CAS 959286-18-1) is a chemical compound with molecular formula C13H16O5 and molecular weight 252.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-methylbutoxy)-1,3-benzodioxole-5-carboxylic acid
Also Known As: Piperonylic acid, 6-O-[(3,3'-dimethyl)propyl]-, 1,3-Benzodioxole-5-carboxylic acid, 6-(3-methylbutoxy)-, 6-(3-methylbutoxy)-1,3-benzodioxole-5-carboxylic acid, 6-(Isopentyloxy)-1,3-benzodioxole-5-carboxylic acid #
| Molecular Formula | C13H16O5 |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.09978 |
| Heavy Atoms | 18 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 959286-18-1 |
|---|---|
| SMILES | CC(C)CCOC1=CC2=C(C=C1C(=O)O)OCO2 |
| InChIKey | ZAEGNZUOAJBCGD-UHFFFAOYSA-N |
Product Overview
Piperonylic acid, 6-O-[(3,3'-dimethyl)propyl]- (CAS 959286-18-1), with molecular formula C13H16O5 and molecular weight 252.10 g/mol. IUPAC: 6-(3-methylbutoxy)-1,3-benzodioxole-5-carboxylic acid.
Chemical Property Profile of Piperonylic acid, 6-O-[(3,3'-dimethyl)propyl]-
Property Insights of Piperonylic acid, 6-O-[(3,3'-dimethyl)propyl]-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperonylic acid, 6-O-[(3,3'-dimethyl)propyl]-. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperonylic acid, 6-O-[(3,3'-dimethyl)propyl]-. Following Lipinski's Rule of Five, Piperonylic acid, 6-O-[(3,3'-dimethyl)propyl]- 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 Piperonylic acid, 6-O-[(3,3'-dimethyl)propyl]-?
The CAS number of Piperonylic acid, 6-O-[(3,3'-dimethyl)propyl]- is 959286-18-1.
What is the molecular formula of Piperonylic acid, 6-O-[(3,3'-dimethyl)propyl]-?
The molecular formula of Piperonylic acid, 6-O-[(3,3'-dimethyl)propyl]- is C13H16O5.
What is the molecular weight of Piperonylic acid, 6-O-[(3,3'-dimethyl)propyl]-?
The molecular weight of Piperonylic acid, 6-O-[(3,3'-dimethyl)propyl]- is 252.10 g/mol.
Where can I buy Piperonylic acid, 6-O-[(3,3'-dimethyl)propyl]-?
You can request a quote for Piperonylic acid, 6-O-[(3,3'-dimethyl)propyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperonylic acid, 6-O-[(3,3'-dimethyl)propyl]-?
Yes, KEHONG BIO provides custom synthesis services for Piperonylic acid, 6-O-[(3,3'-dimethyl)propyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.