1,3-Benzodioxole-5-methanol, formate
TL;DR: 1,3-Benzodioxole-5-methanol, formate (CAS 85262-96-0) is a chemical compound with molecular formula C9H8O4 and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-ylmethyl formate
Also Known As: piperonyl formate, 1,3-Benzodioxole-5-methanol, formate, 1,3-benzodioxol-5-ylmethyl formate, 3,4-METHYLENEDIOXYBENZYL FORMATE, (2H-1,3-Benzodioxol-5-yl)methyl formate
| Molecular Formula | C9H8O4 |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.04225 |
| Heavy Atoms | 13 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 85262-96-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)COC=O |
| InChIKey | ZPQGZTFOFQEGAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzodioxole-5-methanol, formate (CAS 85262-96-0), with molecular formula C9H8O4 and molecular weight 180.04 g/mol. IUPAC: 1,3-benzodioxol-5-ylmethyl formate.
Chemical Property Profile of 1,3-Benzodioxole-5-methanol, formate
Property Insights of 1,3-Benzodioxole-5-methanol, formate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole-5-methanol, formate. With a topological polar surface area (TPSA) of 44.8 Ų, 1,3-Benzodioxole-5-methanol, formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole-5-methanol, formate 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 1,3-Benzodioxole-5-methanol, formate?
The CAS number of 1,3-Benzodioxole-5-methanol, formate is 85262-96-0.
What is the molecular formula of 1,3-Benzodioxole-5-methanol, formate?
The molecular formula of 1,3-Benzodioxole-5-methanol, formate is C9H8O4.
What is the molecular weight of 1,3-Benzodioxole-5-methanol, formate?
The molecular weight of 1,3-Benzodioxole-5-methanol, formate is 180.04 g/mol.
Where can I buy 1,3-Benzodioxole-5-methanol, formate?
You can request a quote for 1,3-Benzodioxole-5-methanol, formate 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-methanol, formate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-5-methanol, formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.