1-(4-Chlorophenyl)sulfonyl-4-(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane
TL;DR: 1-(4-Chlorophenyl)sulfonyl-4-(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane (CAS 606118-06-3) is a chemical compound with molecular formula C17H21ClN4O2S and molecular weight 380.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)sulfonyl-4-(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane
Also Known As: ASN 06898600, 1-(4-chlorophenyl)sulfonyl-4-(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane, 1-(4-Chloro-benzenesulfonyl)-4-(4,6-dimethyl-pyrimidin-2-yl)-[1,4]diazepane, 1H-1,4-Diazepine, 1-[(4-chlorophenyl)sulfonyl]-4-(4,6-dimethyl-2-pyrimidinyl)hexahydro- (9CI)
| Molecular Formula | C17H21ClN4O2S |
|---|---|
| Molecular Weight | 380.11 g/mol |
| LogP | 2.64784 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.10736 |
| Heavy Atoms | 25 |
| Complexity | 835.2016 |
Chemical Identifiers
| CAS Number | 606118-06-3 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)C |
Product Overview
1-(4-Chlorophenyl)sulfonyl-4-(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane (CAS 606118-06-3), with molecular formula C17H21ClN4O2S and molecular weight 380.11 g/mol. IUPAC: 1-(4-chlorophenyl)sulfonyl-4-(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane.
Chemical Property Profile of 1-(4-Chlorophenyl)sulfonyl-4-(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane
Property Insights of 1-(4-Chlorophenyl)sulfonyl-4-(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane
The XLogP value of 2.64784 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chlorophenyl)sulfonyl-4-(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chlorophenyl)sulfonyl-4-(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)sulfonyl-4-(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane 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-Chlorophenyl)sulfonyl-4-(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane?
The CAS number of 1-(4-Chlorophenyl)sulfonyl-4-(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane is 606118-06-3.
What is the molecular formula of 1-(4-Chlorophenyl)sulfonyl-4-(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane?
The molecular formula of 1-(4-Chlorophenyl)sulfonyl-4-(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane is C17H21ClN4O2S.
What is the molecular weight of 1-(4-Chlorophenyl)sulfonyl-4-(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane?
The molecular weight of 1-(4-Chlorophenyl)sulfonyl-4-(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane is 380.11 g/mol.
Where can I buy 1-(4-Chlorophenyl)sulfonyl-4-(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane?
You can request a quote for 1-(4-Chlorophenyl)sulfonyl-4-(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorophenyl)sulfonyl-4-(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)sulfonyl-4-(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.