3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonyl chloride
TL;DR: 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonyl chloride (CAS 321309-38-0) is a chemical compound with molecular formula C9H9ClO4S and molecular weight 247.99 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-sulfonyl chloride
Also Known As: 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonyl chloride, 3,4-Dihydro-2H-benzo[b][1,4]dioxepine-7-sulfonyl chloride, BUTTPARK 121\15-35, 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonyl chloride, 2H-1,5-Benzodioxepin-7-sulfonylchloride, 3,4-dihydro-
| Molecular Formula | C9H9ClO4S |
|---|---|
| Molecular Weight | 247.99 g/mol |
| LogP | 1.7754 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.99101 |
| Heavy Atoms | 15 |
| Complexity | 469.00073 |
Chemical Identifiers
| CAS Number | 321309-38-0 |
|---|---|
| SMILES | C1COC2=C(C=C(C=C2)S(=O)(=O)Cl)OC1 |
Product Overview
3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonyl chloride (CAS 321309-38-0), with molecular formula C9H9ClO4S and molecular weight 247.99 g/mol. IUPAC: 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonyl chloride.
Chemical Property Profile of 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonyl chloride
Property Insights of 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonyl chloride
The XLogP value of 1.7754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonyl chloride. With a topological polar surface area (TPSA) of 52.6 Ų, 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonyl chloride 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 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonyl chloride?
The CAS number of 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonyl chloride is 321309-38-0.
What is the molecular formula of 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonyl chloride?
The molecular formula of 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonyl chloride is C9H9ClO4S.
What is the molecular weight of 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonyl chloride?
The molecular weight of 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonyl chloride is 247.99 g/mol.
Where can I buy 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonyl chloride?
You can request a quote for 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonyl chloride 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-sulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.