1-(2,5-Dimethoxyphenyl)sulfonylazepane
TL;DR: 1-(2,5-Dimethoxyphenyl)sulfonylazepane (CAS 312594-48-2) is a chemical compound with molecular formula C14H21NO4S and molecular weight 299.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5-dimethoxyphenyl)sulfonylazepane
Also Known As: 1-(2,5-dimethoxyphenyl)sulfonylazepane, 1-[(2,5-dimethoxyphenyl)sulfonyl]azepane, 1-(2,5-Dimethoxy-benzenesulfonyl)-azepane, BAS 00668451, BIM-0027232.P001
| Molecular Formula | C14H21NO4S |
|---|---|
| Molecular Weight | 299.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 64.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.11914 |
| Heavy Atoms | 20 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 312594-48-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCCC2 |
| InChIKey | HSAJGADWBPFQPE-UHFFFAOYSA-N |
Product Overview
1-(2,5-Dimethoxyphenyl)sulfonylazepane (CAS 312594-48-2), with molecular formula C14H21NO4S and molecular weight 299.12 g/mol. IUPAC: 1-(2,5-dimethoxyphenyl)sulfonylazepane.
Chemical Property Profile of 1-(2,5-Dimethoxyphenyl)sulfonylazepane
Property Insights of 1-(2,5-Dimethoxyphenyl)sulfonylazepane
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,5-Dimethoxyphenyl)sulfonylazepane. The TPSA of 64.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,5-Dimethoxyphenyl)sulfonylazepane. Following Lipinski's Rule of Five, 1-(2,5-Dimethoxyphenyl)sulfonylazepane has 0 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 1-(2,5-Dimethoxyphenyl)sulfonylazepane?
The CAS number of 1-(2,5-Dimethoxyphenyl)sulfonylazepane is 312594-48-2.
What is the molecular formula of 1-(2,5-Dimethoxyphenyl)sulfonylazepane?
The molecular formula of 1-(2,5-Dimethoxyphenyl)sulfonylazepane is C14H21NO4S.
What is the molecular weight of 1-(2,5-Dimethoxyphenyl)sulfonylazepane?
The molecular weight of 1-(2,5-Dimethoxyphenyl)sulfonylazepane is 299.12 g/mol.
Where can I buy 1-(2,5-Dimethoxyphenyl)sulfonylazepane?
You can request a quote for 1-(2,5-Dimethoxyphenyl)sulfonylazepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,5-Dimethoxyphenyl)sulfonylazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,5-Dimethoxyphenyl)sulfonylazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.