1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl-, methyl ester
TL;DR: 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl-, methyl ester (CAS 71980-70-6) is a chemical compound with molecular formula C22H17ClO4 and molecular weight 380.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-chloro-4,4-diphenyl-1,3-benzodioxine-2-carboxylate
Also Known As: 6-Chloro-4,4-diphenyl-1,3-benzodioxan-2-carboxylic acid methyl ester, 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl-, methyl ester, methyl 6-chloro-4,4-diphenyl-1,3-benzodioxine-2-carboxylate, 4H-1,3-Benzodioxin-2-carboxylic acid, 6-chloro-4,4-diphenyl-, methyl ester, Methyl 6-chloro-4,4-diphenyl-2H,4H-1,3-benzodioxine-2-carboxylate
| Molecular Formula | C22H17ClO4 |
|---|---|
| Molecular Weight | 380.08 g/mol |
| LogP | 4.54 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.08154 |
| Heavy Atoms | 27 |
| Complexity | 917.0615 |
Chemical Identifiers
| CAS Number | 71980-70-6 |
|---|---|
| SMILES | COC(=O)C1OC2=C(C=C(C=C2)Cl)C(O1)(C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl-, methyl ester (CAS 71980-70-6), with molecular formula C22H17ClO4 and molecular weight 380.08 g/mol. IUPAC: methyl 6-chloro-4,4-diphenyl-1,3-benzodioxine-2-carboxylate.
Chemical Property Profile of 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl-, methyl ester
Property Insights of 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl-, methyl ester
The XLogP value of 4.54 indicates that 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl-, methyl ester 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-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl-, methyl ester?
The CAS number of 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl-, methyl ester is 71980-70-6.
What is the molecular formula of 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl-, methyl ester?
The molecular formula of 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl-, methyl ester is C22H17ClO4.
What is the molecular weight of 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl-, methyl ester?
The molecular weight of 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl-, methyl ester is 380.08 g/mol.
Where can I buy 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl-, methyl ester?
You can request a quote for 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.