Benzenamine, 4-(methylsulfonyl)-2,6-dinitro-N-propyl-
TL;DR: Benzenamine, 4-(methylsulfonyl)-2,6-dinitro-N-propyl- (CAS 67810-34-8) is a chemical compound with molecular formula C10H13N3O6S and molecular weight 303.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfonyl-2,6-dinitro-N-propylaniline
Also Known As: Benzenamine, 4-(methylsulfonyl)-2,6-dinitro-N-propyl-, 4-methanesulfonyl-2,6-dinitro-N-propylaniline, 4-methylsulfonyl-2,6-dinitro-N-propylaniline, 4-methylsulfonyl-2,6-dinitro-N-propyl-aniline, 2,6-dinitro-4-(methylsulfonyl)-N-propylaniline
| Molecular Formula | C10H13N3O6S |
|---|---|
| Molecular Weight | 303.05 g/mol |
| LogP | 1.7284 |
| Topological Polar Surface Area | 132.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.05252 |
| Heavy Atoms | 20 |
| Complexity | 619.9519 |
Chemical Identifiers
| CAS Number | 67810-34-8 |
|---|---|
| SMILES | CCCNC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-] |
Product Overview
Benzenamine, 4-(methylsulfonyl)-2,6-dinitro-N-propyl- (CAS 67810-34-8), with molecular formula C10H13N3O6S and molecular weight 303.05 g/mol. IUPAC: 4-methylsulfonyl-2,6-dinitro-N-propylaniline.
Chemical Property Profile of Benzenamine, 4-(methylsulfonyl)-2,6-dinitro-N-propyl-
Property Insights of Benzenamine, 4-(methylsulfonyl)-2,6-dinitro-N-propyl-
The XLogP value of 1.7284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenamine, 4-(methylsulfonyl)-2,6-dinitro-N-propyl-. The TPSA of 132.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenamine, 4-(methylsulfonyl)-2,6-dinitro-N-propyl-. Following Lipinski's Rule of Five, Benzenamine, 4-(methylsulfonyl)-2,6-dinitro-N-propyl- has 1 hydrogen bond donor(s) and 7 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 Benzenamine, 4-(methylsulfonyl)-2,6-dinitro-N-propyl-?
The CAS number of Benzenamine, 4-(methylsulfonyl)-2,6-dinitro-N-propyl- is 67810-34-8.
What is the molecular formula of Benzenamine, 4-(methylsulfonyl)-2,6-dinitro-N-propyl-?
The molecular formula of Benzenamine, 4-(methylsulfonyl)-2,6-dinitro-N-propyl- is C10H13N3O6S.
What is the molecular weight of Benzenamine, 4-(methylsulfonyl)-2,6-dinitro-N-propyl-?
The molecular weight of Benzenamine, 4-(methylsulfonyl)-2,6-dinitro-N-propyl- is 303.05 g/mol.
Where can I buy Benzenamine, 4-(methylsulfonyl)-2,6-dinitro-N-propyl-?
You can request a quote for Benzenamine, 4-(methylsulfonyl)-2,6-dinitro-N-propyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, 4-(methylsulfonyl)-2,6-dinitro-N-propyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 4-(methylsulfonyl)-2,6-dinitro-N-propyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.