异丙乐灵
TL;DR: 异丙乐灵 (CAS 33820-53-0) is a chemical compound with molecular formula C15H23N3O4 and molecular weight 309.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异丙乐灵
2,6-dinitro-4-propan-2-yl-N,N-dipropylaniline
Also Known As: ISOPROPALIN, Paarlan, Isopropaline, Caswell No. 506A, Isopropaline [ISO-French]
| Molecular Formula | C15H23N3O4 |
|---|---|
| Molecular Weight | 309.17 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.16885 |
| Heavy Atoms | 22 |
| Complexity | 348.0 |
| Solubility | In water at 25 °C, 0.1 mg/l. In acetone, hexane, benzene, chloroform, diethyl ether, acetonitrile, and methanol, all > 1 kg/l at 25 °C. |
| Vapor Pressure | 0.00003 [mmHg] |
Chemical Identifiers
| CAS Number | 33820-53-0 |
|---|---|
| SMILES | CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(C)C)[N+](=O)[O-] |
| InChIKey | NEKOXWSIMFDGMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异丙乐灵 (CAS 33820-53-0), with molecular formula C15H23N3O4 and molecular weight 309.17 g/mol. IUPAC: 2,6-dinitro-4-propan-2-yl-N,N-dipropylaniline.
Chemical Property Profile of 异丙乐灵
Property Insights of 异丙乐灵
The XLogP value of 5.6 indicates that 异丙乐灵 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 异丙乐灵. Following Lipinski's Rule of Five, 异丙乐灵 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 异丙乐灵?
The CAS number of 异丙乐灵 is 33820-53-0.
What is the molecular formula of 异丙乐灵?
The molecular formula of 异丙乐灵 is C15H23N3O4.
What is the molecular weight of 异丙乐灵?
The molecular weight of 异丙乐灵 is 309.17 g/mol.
Where can I buy 异丙乐灵?
You can request a quote for 异丙乐灵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异丙乐灵?
Yes, KEHONG BIO provides custom synthesis services for 异丙乐灵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.