特丁津
TL;DR: 特丁津 (CAS 5915-41-3) is a chemical compound with molecular formula C9H16ClN5 and molecular weight 229.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
特丁津
2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
Also Known As: Terbuthylazine, Terbutylazine, Terbutazine, Gardoprim, ChlorCaragard
| Molecular Formula | C9H16ClN5 |
|---|---|
| Molecular Weight | 229.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.10942 |
| Heavy Atoms | 15 |
| Complexity | 193.0 |
| Melting Point | 175.5 °C |
| Density | 1.122 g/cu cm at 20 °C |
| Solubility | In water, 5.0 mg/L at 20 °C |
| Vapor Pressure | 0.00000112 [mmHg] |
Chemical Identifiers
| CAS Number | 5915-41-3 |
|---|---|
| SMILES | CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C |
| InChIKey | FZXISNSWEXTPMF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
特丁津 (CAS 5915-41-3), with molecular formula C9H16ClN5 and molecular weight 229.11 g/mol. IUPAC: 2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of 特丁津
Property Insights of 特丁津
The XLogP value of 3.1 indicates that 特丁津 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 特丁津. Following Lipinski's Rule of Five, 特丁津 has 2 hydrogen bond donor(s) and 5 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 特丁津?
The CAS number of 特丁津 is 5915-41-3.
What is the molecular formula of 特丁津?
The molecular formula of 特丁津 is C9H16ClN5.
What is the molecular weight of 特丁津?
The molecular weight of 特丁津 is 229.11 g/mol.
Where can I buy 特丁津?
You can request a quote for 特丁津 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 特丁津?
Yes, KEHONG BIO provides custom synthesis services for 特丁津 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.