3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
TL;DR: 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide (CAS 874842-53-2) is a chemical compound with molecular formula C9H11NO4S and molecular weight 229.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
Also Known As: 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide, 3,4-dihydro-2H-1,5-Benzodioxepin-7-sulfonamide, 2H-1,5-Benzodioxepin-7-sulfonamide, 3,4-dihydro-, 3,4-dihydro-2H-benzo[b][1,4]dioxepine-7-sulfonamide
| Molecular Formula | C9H11NO4S |
|---|---|
| Molecular Weight | 229.04 g/mol |
| LogP | 0.4953 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.04088 |
| Heavy Atoms | 15 |
| Complexity | 469.00073 |
Chemical Identifiers
| CAS Number | 874842-53-2 |
|---|---|
| SMILES | C1COC2=C(C=C(C=C2)S(=O)(=O)N)OC1 |
Product Overview
3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide (CAS 874842-53-2), with molecular formula C9H11NO4S and molecular weight 229.04 g/mol. IUPAC: 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide.
Chemical Property Profile of 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
Property Insights of 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
The XLogP value of 0.4953 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide. Following Lipinski's Rule of Five, 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide has 1 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 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
The CAS number of 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide is 874842-53-2.
What is the molecular formula of 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
The molecular formula of 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide is C9H11NO4S.
What is the molecular weight of 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
The molecular weight of 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide is 229.04 g/mol.
Where can I buy 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
You can request a quote for 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.