N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
TL;DR: N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide (CAS 942007-04-7) is a chemical compound with molecular formula C16H16ClNO5S and molecular weight 369.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
Also Known As: F2242-0228, N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide, N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-benzo[b][1,4]dioxepine-7-sulfonamide, (5-chloro-2-anisidino)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl(oxo)-lambda-sulfaniumolate
| Molecular Formula | C16H16ClNO5S |
|---|---|
| Molecular Weight | 369.04 g/mol |
| LogP | 3.3107 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.04376 |
| Heavy Atoms | 24 |
| Complexity | 853.54144 |
Chemical Identifiers
| CAS Number | 942007-04-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3 |
Product Overview
N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide (CAS 942007-04-7), with molecular formula C16H16ClNO5S and molecular weight 369.04 g/mol. IUPAC: N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide.
Chemical Property Profile of N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
Property Insights of N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
The XLogP value of 3.3107 indicates that N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide. Following Lipinski's Rule of Five, N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide 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 N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
The CAS number of N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide is 942007-04-7.
What is the molecular formula of N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
The molecular formula of N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide is C16H16ClNO5S.
What is the molecular weight of N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
The molecular weight of N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide is 369.04 g/mol.
Where can I buy N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
You can request a quote for N-(5-chloro-2-methoxyphenyl)-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 N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.