![2-{4-[(4-Bromophenyl)sulfonyl]-1,4-diazepan-1-yl}-4,6-dimethylnicotinonitrile structure](/static/products/4782/478256-86-9.webp)
2-{4-[(4-Bromophenyl)sulfonyl]-1,4-diazepan-1-yl}-4,6-dimethylnicotinonitrile
TL;DR: 2-{4-[(4-Bromophenyl)sulfonyl]-1,4-diazepan-1-yl}-4,6-dimethylnicotinonitrile (CAS 478256-86-9) is a chemical compound with molecular formula C19H21BrN4O2S and molecular weight 448.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-4,6-dimethylpyridine-3-carbonitrile
Also Known As: 8P-535S, 2-{4-[(4-bromophenyl)sulfonyl]-1,4-diazepan-1-yl}-4,6-dimethylnicotinonitrile, 2-[4-(4-bromobenzenesulfonyl)-1,4-diazepan-1-yl]-4,6-dimethylpyridine-3-carbonitrile, 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-4,6-dimethylpyridine-3-carbonitrile, 2-(4-[(4-BROMOPHENYL)SULFONYL]-1,4-DIAZEPAN-1-YL)-4,6-DIMETHYLNICOTINONITRILE
| Molecular Formula | C19H21BrN4O2S |
|---|---|
| Molecular Weight | 448.06 g/mol |
| LogP | 3.23362 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 448.05685 |
| Heavy Atoms | 27 |
| Complexity | 984.00464 |
Chemical Identifiers
| CAS Number | 478256-86-9 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)C |
Product Overview
2-{4-[(4-Bromophenyl)sulfonyl]-1,4-diazepan-1-yl}-4,6-dimethylnicotinonitrile (CAS 478256-86-9), with molecular formula C19H21BrN4O2S and molecular weight 448.06 g/mol. IUPAC: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-4,6-dimethylpyridine-3-carbonitrile.
Chemical Property Profile of 2-{4-[(4-Bromophenyl)sulfonyl]-1,4-diazepan-1-yl}-4,6-dimethylnicotinonitrile
Property Insights of 2-{4-[(4-Bromophenyl)sulfonyl]-1,4-diazepan-1-yl}-4,6-dimethylnicotinonitrile
The XLogP value of 3.23362 indicates that 2-{4-[(4-Bromophenyl)sulfonyl]-1,4-diazepan-1-yl}-4,6-dimethylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{4-[(4-Bromophenyl)sulfonyl]-1,4-diazepan-1-yl}-4,6-dimethylnicotinonitrile. Following Lipinski's Rule of Five, 2-{4-[(4-Bromophenyl)sulfonyl]-1,4-diazepan-1-yl}-4,6-dimethylnicotinonitrile 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 2-{4-[(4-Bromophenyl)sulfonyl]-1,4-diazepan-1-yl}-4,6-dimethylnicotinonitrile?
The CAS number of 2-{4-[(4-Bromophenyl)sulfonyl]-1,4-diazepan-1-yl}-4,6-dimethylnicotinonitrile is 478256-86-9.
What is the molecular formula of 2-{4-[(4-Bromophenyl)sulfonyl]-1,4-diazepan-1-yl}-4,6-dimethylnicotinonitrile?
The molecular formula of 2-{4-[(4-Bromophenyl)sulfonyl]-1,4-diazepan-1-yl}-4,6-dimethylnicotinonitrile is C19H21BrN4O2S.
What is the molecular weight of 2-{4-[(4-Bromophenyl)sulfonyl]-1,4-diazepan-1-yl}-4,6-dimethylnicotinonitrile?
The molecular weight of 2-{4-[(4-Bromophenyl)sulfonyl]-1,4-diazepan-1-yl}-4,6-dimethylnicotinonitrile is 448.06 g/mol.
Where can I buy 2-{4-[(4-Bromophenyl)sulfonyl]-1,4-diazepan-1-yl}-4,6-dimethylnicotinonitrile?
You can request a quote for 2-{4-[(4-Bromophenyl)sulfonyl]-1,4-diazepan-1-yl}-4,6-dimethylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{4-[(4-Bromophenyl)sulfonyl]-1,4-diazepan-1-yl}-4,6-dimethylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-[(4-Bromophenyl)sulfonyl]-1,4-diazepan-1-yl}-4,6-dimethylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.