cis-6-Chloro-2,4-dimethyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid
TL;DR: cis-6-Chloro-2,4-dimethyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid (CAS 86616-90-2) is a chemical compound with molecular formula C17H15ClO4 and molecular weight 318.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S,4R)-6-chloro-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate
Also Known As: cis-6-Chloro-2,4-dimethyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid, 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, methyl ester, (Z)-, 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-2,4-dimethyl-4-phenyl-, (Z)-, 4H-1,3-Benzodioxin-2-carboxylic acid, 6-chloro-2,4-dimethyl-4-phenyl-, cis-, (Chloro-6 methyl-4 phenyl-4 (4H) benzodioxine-(1,3)) carboxylate-2 de methyle cis [French]
| Molecular Formula | C17H15ClO4 |
|---|---|
| Molecular Weight | 318.07 g/mol |
| LogP | 3.5116 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.0659 |
| Heavy Atoms | 22 |
| Complexity | 701.06006 |
Chemical Identifiers
| CAS Number | 86616-90-2 |
|---|---|
| SMILES | C[C@]1(C2=C(C=CC(=C2)Cl)O[C@@H](O1)C(=O)OC)C3=CC=CC=C3 |
Product Overview
cis-6-Chloro-2,4-dimethyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid (CAS 86616-90-2), with molecular formula C17H15ClO4 and molecular weight 318.07 g/mol. IUPAC: methyl (2S,4R)-6-chloro-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate.
Chemical Property Profile of cis-6-Chloro-2,4-dimethyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid
Property Insights of cis-6-Chloro-2,4-dimethyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid
The XLogP value of 3.5116 indicates that cis-6-Chloro-2,4-dimethyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, cis-6-Chloro-2,4-dimethyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-6-Chloro-2,4-dimethyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid 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 cis-6-Chloro-2,4-dimethyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid?
The CAS number of cis-6-Chloro-2,4-dimethyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid is 86616-90-2.
What is the molecular formula of cis-6-Chloro-2,4-dimethyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid?
The molecular formula of cis-6-Chloro-2,4-dimethyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid is C17H15ClO4.
What is the molecular weight of cis-6-Chloro-2,4-dimethyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid?
The molecular weight of cis-6-Chloro-2,4-dimethyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid is 318.07 g/mol.
Where can I buy cis-6-Chloro-2,4-dimethyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid?
You can request a quote for cis-6-Chloro-2,4-dimethyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-6-Chloro-2,4-dimethyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for cis-6-Chloro-2,4-dimethyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.