1-(4-(Methylsulfonyl)-2-nitrophenyl)-1,4-diazepane
TL;DR: 1-(4-(Methylsulfonyl)-2-nitrophenyl)-1,4-diazepane (CAS 849035-89-8) is a chemical compound with molecular formula C12H17N3O4S and molecular weight 299.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylsulfonyl-2-nitrophenyl)-1,4-diazepane
Also Known As: 1-[4-(Methylsulfonyl)-2-nitrophenyl]-1,4-diazepane, 1-(4-(Methylsulfonyl)-2-nitrophenyl)-1,4-diazepane, 0593AF, 1-(4-methylsulfonyl-2-nitrophenyl)-1,4-diazepane, 1-(4-methanesulfonyl-2-nitrophenyl)-1,4-diazepane
| Molecular Formula | C12H17N3O4S |
|---|---|
| Molecular Weight | 299.09 g/mol |
| LogP | 0.798 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.09396 |
| Heavy Atoms | 20 |
| Complexity | 607.1285 |
Chemical Identifiers
| CAS Number | 849035-89-8 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)N2CCCNCC2)[N+](=O)[O-] |
Product Overview
1-(4-(Methylsulfonyl)-2-nitrophenyl)-1,4-diazepane (CAS 849035-89-8), with molecular formula C12H17N3O4S and molecular weight 299.09 g/mol. IUPAC: 1-(4-methylsulfonyl-2-nitrophenyl)-1,4-diazepane.
Chemical Property Profile of 1-(4-(Methylsulfonyl)-2-nitrophenyl)-1,4-diazepane
Property Insights of 1-(4-(Methylsulfonyl)-2-nitrophenyl)-1,4-diazepane
The XLogP value of 0.798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-(Methylsulfonyl)-2-nitrophenyl)-1,4-diazepane. The TPSA of 92.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-(Methylsulfonyl)-2-nitrophenyl)-1,4-diazepane. Following Lipinski's Rule of Five, 1-(4-(Methylsulfonyl)-2-nitrophenyl)-1,4-diazepane has 1 hydrogen bond donor(s) and 6 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-(Methylsulfonyl)-2-nitrophenyl)-1,4-diazepane?
The CAS number of 1-(4-(Methylsulfonyl)-2-nitrophenyl)-1,4-diazepane is 849035-89-8.
What is the molecular formula of 1-(4-(Methylsulfonyl)-2-nitrophenyl)-1,4-diazepane?
The molecular formula of 1-(4-(Methylsulfonyl)-2-nitrophenyl)-1,4-diazepane is C12H17N3O4S.
What is the molecular weight of 1-(4-(Methylsulfonyl)-2-nitrophenyl)-1,4-diazepane?
The molecular weight of 1-(4-(Methylsulfonyl)-2-nitrophenyl)-1,4-diazepane is 299.09 g/mol.
Where can I buy 1-(4-(Methylsulfonyl)-2-nitrophenyl)-1,4-diazepane?
You can request a quote for 1-(4-(Methylsulfonyl)-2-nitrophenyl)-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-(Methylsulfonyl)-2-nitrophenyl)-1,4-diazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-(Methylsulfonyl)-2-nitrophenyl)-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.