![2-[4-(Benzylsulfonyl)-1,4-diazepan-1-yl]-4,6-dimethylnicotinonitrile structure](/static/products/866/866136-69-8.png)
2-[4-(Benzylsulfonyl)-1,4-diazepan-1-yl]-4,6-dimethylnicotinonitrile
TL;DR: 2-[4-(Benzylsulfonyl)-1,4-diazepan-1-yl]-4,6-dimethylnicotinonitrile (CAS 866136-69-8) is a chemical compound with molecular formula C20H24N4O2S and molecular weight 384.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-benzylsulfonyl-1,4-diazepan-1-yl)-4,6-dimethylpyridine-3-carbonitrile
Also Known As: 8P-539S, 4,6-dimethyl-2-(4-phenylmethanesulfonyl-1,4-diazepan-1-yl)pyridine-3-carbonitrile, 2-[4-(benzylsulfonyl)-1,4-diazepan-1-yl]-4,6-dimethylnicotinonitrile, 2-(4-benzylsulfonyl-1,4-diazepan-1-yl)-4,6-dimethylpyridine-3-carbonitrile, 2-(4-benzylsulfonyl-1,4-diazepan-1-yl)-4,6-dimethyl-pyridine-3-carbonitrile
| Molecular Formula | C20H24N4O2S |
|---|---|
| Molecular Weight | 384.16 g/mol |
| LogP | 2.61222 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.162 |
| Heavy Atoms | 27 |
| Complexity | 951.93726 |
Chemical Identifiers
| CAS Number | 866136-69-8 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)N2CCCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C |
Product Overview
2-[4-(Benzylsulfonyl)-1,4-diazepan-1-yl]-4,6-dimethylnicotinonitrile (CAS 866136-69-8), with molecular formula C20H24N4O2S and molecular weight 384.16 g/mol. IUPAC: 2-(4-benzylsulfonyl-1,4-diazepan-1-yl)-4,6-dimethylpyridine-3-carbonitrile.
Chemical Property Profile of 2-[4-(Benzylsulfonyl)-1,4-diazepan-1-yl]-4,6-dimethylnicotinonitrile
Property Insights of 2-[4-(Benzylsulfonyl)-1,4-diazepan-1-yl]-4,6-dimethylnicotinonitrile
The XLogP value of 2.61222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(Benzylsulfonyl)-1,4-diazepan-1-yl]-4,6-dimethylnicotinonitrile. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(Benzylsulfonyl)-1,4-diazepan-1-yl]-4,6-dimethylnicotinonitrile. Following Lipinski's Rule of Five, 2-[4-(Benzylsulfonyl)-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-(Benzylsulfonyl)-1,4-diazepan-1-yl]-4,6-dimethylnicotinonitrile?
The CAS number of 2-[4-(Benzylsulfonyl)-1,4-diazepan-1-yl]-4,6-dimethylnicotinonitrile is 866136-69-8.
What is the molecular formula of 2-[4-(Benzylsulfonyl)-1,4-diazepan-1-yl]-4,6-dimethylnicotinonitrile?
The molecular formula of 2-[4-(Benzylsulfonyl)-1,4-diazepan-1-yl]-4,6-dimethylnicotinonitrile is C20H24N4O2S.
What is the molecular weight of 2-[4-(Benzylsulfonyl)-1,4-diazepan-1-yl]-4,6-dimethylnicotinonitrile?
The molecular weight of 2-[4-(Benzylsulfonyl)-1,4-diazepan-1-yl]-4,6-dimethylnicotinonitrile is 384.16 g/mol.
Where can I buy 2-[4-(Benzylsulfonyl)-1,4-diazepan-1-yl]-4,6-dimethylnicotinonitrile?
You can request a quote for 2-[4-(Benzylsulfonyl)-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-(Benzylsulfonyl)-1,4-diazepan-1-yl]-4,6-dimethylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(Benzylsulfonyl)-1,4-diazepan-1-yl]-4,6-dimethylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.