8-(Chlorosulphonyl)-3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylicacid
TL;DR: 8-(Chlorosulphonyl)-3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylicacid (CAS 66410-81-9) is a chemical compound with molecular formula C10H9ClO6S and molecular weight 291.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chlorosulfonyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid
Also Known As: EINECS 266-351-9, 8-(Chlorosulphonyl)-3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylicacid, 8-(CHLOROSULFONYL)-3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE-6-CARBOXYLIC ACID, 8-(CHLOROSULFONYL)-3,4-DIHYDRO-2H-BENZO-1,5-DIOXEPIN-6-CARBOXYLIC ACID, 8-Chlorosulfonyl-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxylic acid
| Molecular Formula | C10H9ClO6S |
|---|---|
| Molecular Weight | 291.98 g/mol |
| LogP | 1.4736 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.98083 |
| Heavy Atoms | 18 |
| Complexity | 594.6306 |
Chemical Identifiers
| CAS Number | 66410-81-9 |
|---|---|
| SMILES | C1COC2=CC(=CC(=C2OC1)C(=O)O)S(=O)(=O)Cl |
Product Overview
8-(Chlorosulphonyl)-3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylicacid (CAS 66410-81-9), with molecular formula C10H9ClO6S and molecular weight 291.98 g/mol. IUPAC: 8-chlorosulfonyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid.
Chemical Property Profile of 8-(Chlorosulphonyl)-3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylicacid
Property Insights of 8-(Chlorosulphonyl)-3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylicacid
The XLogP value of 1.4736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(Chlorosulphonyl)-3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylicacid. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(Chlorosulphonyl)-3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylicacid. Following Lipinski's Rule of Five, 8-(Chlorosulphonyl)-3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylicacid 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 8-(Chlorosulphonyl)-3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylicacid?
The CAS number of 8-(Chlorosulphonyl)-3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylicacid is 66410-81-9.
What is the molecular formula of 8-(Chlorosulphonyl)-3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylicacid?
The molecular formula of 8-(Chlorosulphonyl)-3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylicacid is C10H9ClO6S.
What is the molecular weight of 8-(Chlorosulphonyl)-3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylicacid?
The molecular weight of 8-(Chlorosulphonyl)-3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylicacid is 291.98 g/mol.
Where can I buy 8-(Chlorosulphonyl)-3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylicacid?
You can request a quote for 8-(Chlorosulphonyl)-3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylicacid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(Chlorosulphonyl)-3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylicacid?
Yes, KEHONG BIO provides custom synthesis services for 8-(Chlorosulphonyl)-3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylicacid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.