苯代三聚氰胺
TL;DR: 苯代三聚氰胺 (CAS 91-76-9) is a chemical compound with molecular formula C9H9N5 and molecular weight 187.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯代三聚氰胺
6-phenyl-1,3,5-triazine-2,4-diamine
Also Known As: Benzoguanamine, 6-Phenyl-1,3,5-triazine-2,4-diamine, Benzoguanimine, 2,4-DIAMINO-6-PHENYL-1,3,5-TRIAZINE, Benzoquanamine
| Molecular Formula | C9H9N5 |
|---|---|
| Molecular Weight | 187.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.0858 |
| Heavy Atoms | 14 |
| Complexity | 170.0 |
| Melting Point | 227-228 °C |
| Density | 1.40 @ 25 °C |
| Solubility | SOL IN METHYL CELLOSOLVE; INSOL IN BENZENE |
| Vapor Pressure | 0.00000012 [mmHg] |
Chemical Identifiers
| CAS Number | 91-76-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=NC(=N2)N)N |
| InChIKey | GZVHEAJQGPRDLQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯代三聚氰胺 (CAS 91-76-9), with molecular formula C9H9N5 and molecular weight 187.09 g/mol. IUPAC: 6-phenyl-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of 苯代三聚氰胺
Property Insights of 苯代三聚氰胺
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯代三聚氰胺. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 苯代三聚氰胺. Following Lipinski's Rule of Five, 苯代三聚氰胺 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 苯代三聚氰胺?
The CAS number of 苯代三聚氰胺 is 91-76-9.
What is the molecular formula of 苯代三聚氰胺?
The molecular formula of 苯代三聚氰胺 is C9H9N5.
What is the molecular weight of 苯代三聚氰胺?
The molecular weight of 苯代三聚氰胺 is 187.09 g/mol.
Where can I buy 苯代三聚氰胺?
You can request a quote for 苯代三聚氰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯代三聚氰胺?
Yes, KEHONG BIO provides custom synthesis services for 苯代三聚氰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.