磺乐灵
TL;DR: 磺乐灵 (CAS 4726-14-1) is a chemical compound with molecular formula C13H19N3O6S and molecular weight 345.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
磺乐灵
4-methylsulfonyl-2,6-dinitro-N,N-dipropylaniline
Also Known As: NITRALIN, Planavin, Nitraline, Planuin, Planavin 75
| Molecular Formula | C13H19N3O6S |
|---|---|
| Molecular Weight | 345.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.09946 |
| Heavy Atoms | 23 |
| Complexity | 491.0 |
| Melting Point | 151.1 °C |
| Boiling Point | greater than 225.0 °C at 760 mmHg (decomposes) |
| Density | greater than 1 at 20.0 °C (est) |
| Solubility | SOLUBILITY @ 22 °C: 0.6 MG/L IN WATER; 360 G/L IN ACETONE; 330 G/L IN DIMETHYLSULFOXIDE; POORLY SOL IN COMMON HYDROCARBON AND AROMATIC SOLVENTS AND IN COMMON ALCOHOLS |
| Vapor Pressure | 0.00000001 [mmHg] |
Chemical Identifiers
| CAS Number | 4726-14-1 |
|---|---|
| SMILES | CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-] |
| InChIKey | UMKANAFDOQQUKE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
磺乐灵 (CAS 4726-14-1), with molecular formula C13H19N3O6S and molecular weight 345.10 g/mol. IUPAC: 4-methylsulfonyl-2,6-dinitro-N,N-dipropylaniline.
Chemical Property Profile of 磺乐灵
Property Insights of 磺乐灵
The XLogP value of 3.7 indicates that 磺乐灵 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 磺乐灵. Following Lipinski's Rule of Five, 磺乐灵 has 0 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 磺乐灵?
The CAS number of 磺乐灵 is 4726-14-1.
What is the molecular formula of 磺乐灵?
The molecular formula of 磺乐灵 is C13H19N3O6S.
What is the molecular weight of 磺乐灵?
The molecular weight of 磺乐灵 is 345.10 g/mol.
Where can I buy 磺乐灵?
You can request a quote for 磺乐灵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 磺乐灵?
Yes, KEHONG BIO provides custom synthesis services for 磺乐灵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.