7-Hydroxy-2,2-diphenyl-benzo(1,3)dioxole-5-carboxylic acid methyl ester
TL;DR: 7-Hydroxy-2,2-diphenyl-benzo(1,3)dioxole-5-carboxylic acid methyl ester (CAS 69829-46-5) is a chemical compound with molecular formula C21H16O5 and molecular weight 348.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate
Also Known As: Methyl 3-hydroxy-4,5-diphenylmethylenedioxybenzoate, J2.141.156F, Methyl 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate, 7-HYDROXY-2,2-DIPHENYL-BENZO(1,3)DIOXOLE-5-CARBOXYLIC ACID METHYL ESTER, Methyl 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate #
| Molecular Formula | C21H16O5 |
|---|---|
| Molecular Weight | 348.10 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.09976 |
| Heavy Atoms | 26 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 69829-46-5 |
|---|---|
| SMILES | COC(=O)C1=CC(=C2C(=C1)OC(O2)(C3=CC=CC=C3)C4=CC=CC=C4)O |
| InChIKey | WAUGRGIYXIPCRC-UHFFFAOYSA-N |
Product Overview
7-Hydroxy-2,2-diphenyl-benzo(1,3)dioxole-5-carboxylic acid methyl ester (CAS 69829-46-5), with molecular formula C21H16O5 and molecular weight 348.10 g/mol. IUPAC: methyl 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of 7-Hydroxy-2,2-diphenyl-benzo(1,3)dioxole-5-carboxylic acid methyl ester
Property Insights of 7-Hydroxy-2,2-diphenyl-benzo(1,3)dioxole-5-carboxylic acid methyl ester
The XLogP value of 4.2 indicates that 7-Hydroxy-2,2-diphenyl-benzo(1,3)dioxole-5-carboxylic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Hydroxy-2,2-diphenyl-benzo(1,3)dioxole-5-carboxylic acid methyl ester. Following Lipinski's Rule of Five, 7-Hydroxy-2,2-diphenyl-benzo(1,3)dioxole-5-carboxylic acid methyl ester 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 7-Hydroxy-2,2-diphenyl-benzo(1,3)dioxole-5-carboxylic acid methyl ester?
The CAS number of 7-Hydroxy-2,2-diphenyl-benzo(1,3)dioxole-5-carboxylic acid methyl ester is 69829-46-5.
What is the molecular formula of 7-Hydroxy-2,2-diphenyl-benzo(1,3)dioxole-5-carboxylic acid methyl ester?
The molecular formula of 7-Hydroxy-2,2-diphenyl-benzo(1,3)dioxole-5-carboxylic acid methyl ester is C21H16O5.
What is the molecular weight of 7-Hydroxy-2,2-diphenyl-benzo(1,3)dioxole-5-carboxylic acid methyl ester?
The molecular weight of 7-Hydroxy-2,2-diphenyl-benzo(1,3)dioxole-5-carboxylic acid methyl ester is 348.10 g/mol.
Where can I buy 7-Hydroxy-2,2-diphenyl-benzo(1,3)dioxole-5-carboxylic acid methyl ester?
You can request a quote for 7-Hydroxy-2,2-diphenyl-benzo(1,3)dioxole-5-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Hydroxy-2,2-diphenyl-benzo(1,3)dioxole-5-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 7-Hydroxy-2,2-diphenyl-benzo(1,3)dioxole-5-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.