7-(Chlorosulphonyl)-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid
TL;DR: 7-(Chlorosulphonyl)-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid (CAS 66410-36-4) is a chemical compound with molecular formula C9H7ClO6S and molecular weight 277.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chlorosulfonyl-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
Also Known As: 7-(chlorosulfonyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, 7-(Chlorosulphonyl)-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid, EINECS 266-345-6, 7-chlorosulfonyl-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, 7- -2,3-dihydro-1,4-benzodioxin-5-carboxylicacid
| Molecular Formula | C9H7ClO6S |
|---|---|
| Molecular Weight | 277.97 g/mol |
| LogP | 1.0835 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.96518 |
| Heavy Atoms | 17 |
| Complexity | 579.39404 |
Chemical Identifiers
| CAS Number | 66410-36-4 |
|---|---|
| SMILES | C1COC2=C(C=C(C=C2O1)S(=O)(=O)Cl)C(=O)O |
Product Overview
7-(Chlorosulphonyl)-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid (CAS 66410-36-4), with molecular formula C9H7ClO6S and molecular weight 277.97 g/mol. IUPAC: 7-chlorosulfonyl-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid.
Chemical Property Profile of 7-(Chlorosulphonyl)-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid
Property Insights of 7-(Chlorosulphonyl)-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid
The XLogP value of 1.0835 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(Chlorosulphonyl)-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(Chlorosulphonyl)-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid. Following Lipinski's Rule of Five, 7-(Chlorosulphonyl)-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid 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-(Chlorosulphonyl)-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid?
The CAS number of 7-(Chlorosulphonyl)-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid is 66410-36-4.
What is the molecular formula of 7-(Chlorosulphonyl)-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid?
The molecular formula of 7-(Chlorosulphonyl)-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid is C9H7ClO6S.
What is the molecular weight of 7-(Chlorosulphonyl)-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid?
The molecular weight of 7-(Chlorosulphonyl)-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid is 277.97 g/mol.
Where can I buy 7-(Chlorosulphonyl)-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid?
You can request a quote for 7-(Chlorosulphonyl)-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(Chlorosulphonyl)-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-(Chlorosulphonyl)-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.