1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl-
TL;DR: 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl- (CAS 71980-71-7) is a chemical compound with molecular formula C21H15ClO4 and molecular weight 366.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4,4-diphenyl-1,3-benzodioxine-2-carboxylic acid
Also Known As: 6-Chloro-4,4-diphenyl-1,3-benzodioxan-2-carboxylic acid, 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl-, 4H-1,3-Benzodioxin-2-carboxylic acid, 6-chloro-4,4-diphenyl-, 6-chloro-4,4-diphenyl-1,3-benzodioxine-2-carboxylic acid, 6-Chloro-4,4-diphenyl-1,3-benzodioxane-2-carboxylic acid
| Molecular Formula | C21H15ClO4 |
|---|---|
| Molecular Weight | 366.07 g/mol |
| LogP | 4.4516 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.0659 |
| Heavy Atoms | 26 |
| Complexity | 901.2396 |
Chemical Identifiers
| CAS Number | 71980-71-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2(C3=C(C=CC(=C3)Cl)OC(O2)C(=O)O)C4=CC=CC=C4 |
Product Overview
1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl- (CAS 71980-71-7), with molecular formula C21H15ClO4 and molecular weight 366.07 g/mol. IUPAC: 6-chloro-4,4-diphenyl-1,3-benzodioxine-2-carboxylic acid.
Chemical Property Profile of 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl-
Property Insights of 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl-
The XLogP value of 4.4516 indicates that 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.76 Ų, 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl- 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- has 1 hydrogen bond donor(s) and 3 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-?
The CAS number of 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl- is 71980-71-7.
What is the molecular formula of 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl-?
The molecular formula of 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl- is C21H15ClO4.
What is the molecular weight of 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl-?
The molecular weight of 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl- is 366.07 g/mol.
Where can I buy 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl-?
You can request a quote for 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl- 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-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.