3,5-Dinitro-4-(propylamino)benzenesulfonamide
TL;DR: 3,5-Dinitro-4-(propylamino)benzenesulfonamide (CAS 62409-47-6) is a chemical compound with molecular formula C9H12N4O6S and molecular weight 304.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dinitro-4-(propylamino)benzenesulfonamide
Also Known As: N-Depropyloryzalin, Oryzalin metabolite, Oryzalin metabolite OR-2, 3,5-dinitro-4-(propylamino)benzenesulfonamide, 3,5-Dinitro-4-propylamino-benzenesulfonamide
| Molecular Formula | C9H12N4O6S |
|---|---|
| Molecular Weight | 304.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.04776 |
| Heavy Atoms | 20 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 62409-47-6 |
|---|---|
| SMILES | CCCNC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-] |
| InChIKey | IOJAESFEVURKSE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dinitro-4-(propylamino)benzenesulfonamide (CAS 62409-47-6), with molecular formula C9H12N4O6S and molecular weight 304.05 g/mol. IUPAC: 3,5-dinitro-4-(propylamino)benzenesulfonamide.
Chemical Property Profile of 3,5-Dinitro-4-(propylamino)benzenesulfonamide
Property Insights of 3,5-Dinitro-4-(propylamino)benzenesulfonamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dinitro-4-(propylamino)benzenesulfonamide. The TPSA of 172.0 Ų indicates high polarity, suggesting 3,5-Dinitro-4-(propylamino)benzenesulfonamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,5-Dinitro-4-(propylamino)benzenesulfonamide has 2 hydrogen bond donor(s) and 8 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 3,5-Dinitro-4-(propylamino)benzenesulfonamide?
The CAS number of 3,5-Dinitro-4-(propylamino)benzenesulfonamide is 62409-47-6.
What is the molecular formula of 3,5-Dinitro-4-(propylamino)benzenesulfonamide?
The molecular formula of 3,5-Dinitro-4-(propylamino)benzenesulfonamide is C9H12N4O6S.
What is the molecular weight of 3,5-Dinitro-4-(propylamino)benzenesulfonamide?
The molecular weight of 3,5-Dinitro-4-(propylamino)benzenesulfonamide is 304.05 g/mol.
Where can I buy 3,5-Dinitro-4-(propylamino)benzenesulfonamide?
You can request a quote for 3,5-Dinitro-4-(propylamino)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dinitro-4-(propylamino)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dinitro-4-(propylamino)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.