1-(4-Bromo-2,5-dimethoxyphenyl)sulfonylazepane
TL;DR: 1-(4-Bromo-2,5-dimethoxyphenyl)sulfonylazepane (CAS 409357-80-8) is a chemical compound with molecular formula C14H20BrNO4S and molecular weight 377.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromo-2,5-dimethoxyphenyl)sulfonylazepane
Also Known As: IFLab1_004671, 1-(4-bromo-2,5-dimethoxyphenyl)sulfonylazepane, IDI1_010426, 1-[(4-Bromo-2,5-dimethoxyphenyl)sulfonyl]azepane, 1-((4-bromo-2,5-dimethoxyphenyl)sulfonyl)azepane
| Molecular Formula | C14H20BrNO4S |
|---|---|
| Molecular Weight | 377.03 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 64.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.02963 |
| Heavy Atoms | 21 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 409357-80-8 |
|---|---|
| SMILES | COC1=CC(=C(C=C1Br)OC)S(=O)(=O)N2CCCCCC2 |
| InChIKey | OBMPTPFILZPOKI-UHFFFAOYSA-N |
Product Overview
1-(4-Bromo-2,5-dimethoxyphenyl)sulfonylazepane (CAS 409357-80-8), with molecular formula C14H20BrNO4S and molecular weight 377.03 g/mol. IUPAC: 1-(4-bromo-2,5-dimethoxyphenyl)sulfonylazepane.
Chemical Property Profile of 1-(4-Bromo-2,5-dimethoxyphenyl)sulfonylazepane
Property Insights of 1-(4-Bromo-2,5-dimethoxyphenyl)sulfonylazepane
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Bromo-2,5-dimethoxyphenyl)sulfonylazepane. The TPSA of 64.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Bromo-2,5-dimethoxyphenyl)sulfonylazepane. Following Lipinski's Rule of Five, 1-(4-Bromo-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-(4-Bromo-2,5-dimethoxyphenyl)sulfonylazepane?
The CAS number of 1-(4-Bromo-2,5-dimethoxyphenyl)sulfonylazepane is 409357-80-8.
What is the molecular formula of 1-(4-Bromo-2,5-dimethoxyphenyl)sulfonylazepane?
The molecular formula of 1-(4-Bromo-2,5-dimethoxyphenyl)sulfonylazepane is C14H20BrNO4S.
What is the molecular weight of 1-(4-Bromo-2,5-dimethoxyphenyl)sulfonylazepane?
The molecular weight of 1-(4-Bromo-2,5-dimethoxyphenyl)sulfonylazepane is 377.03 g/mol.
Where can I buy 1-(4-Bromo-2,5-dimethoxyphenyl)sulfonylazepane?
You can request a quote for 1-(4-Bromo-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-(4-Bromo-2,5-dimethoxyphenyl)sulfonylazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromo-2,5-dimethoxyphenyl)sulfonylazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.