6-(4-氯苯基)-1,3,5-三嗪-2,4-二胺
TL;DR: 6-(4-氯苯基)-1,3,5-三嗪-2,4-二胺 (CAS 4514-53-8) is a chemical compound with molecular formula C9H8ClN5 and molecular weight 221.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-氯苯基)-1,3,5-三嗪-2,4-二胺
6-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
Also Known As: 6-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine, 4'-chlorobenzoguanamine, 2,4-Diamino-6-(4-chlorophenyl)-1,3,5-triazine, Maybridge1_005965, Nc1nc(N)nc(n1)c2ccc(Cl)cc2
| Molecular Formula | C9H8ClN5 |
|---|---|
| Molecular Weight | 221.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.04683 |
| Heavy Atoms | 15 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 4514-53-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC(=NC(=N2)N)N)Cl |
| InChIKey | ZHMAVICRSKFCFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-(4-氯苯基)-1,3,5-三嗪-2,4-二胺 (CAS 4514-53-8), with molecular formula C9H8ClN5 and molecular weight 221.05 g/mol. IUPAC: 6-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of 6-(4-氯苯基)-1,3,5-三嗪-2,4-二胺
Property Insights of 6-(4-氯苯基)-1,3,5-三嗪-2,4-二胺
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-氯苯基)-1,3,5-三嗪-2,4-二胺. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-氯苯基)-1,3,5-三嗪-2,4-二胺. Following Lipinski's Rule of Five, 6-(4-氯苯基)-1,3,5-三嗪-2,4-二胺 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 6-(4-氯苯基)-1,3,5-三嗪-2,4-二胺?
The CAS number of 6-(4-氯苯基)-1,3,5-三嗪-2,4-二胺 is 4514-53-8.
What is the molecular formula of 6-(4-氯苯基)-1,3,5-三嗪-2,4-二胺?
The molecular formula of 6-(4-氯苯基)-1,3,5-三嗪-2,4-二胺 is C9H8ClN5.
What is the molecular weight of 6-(4-氯苯基)-1,3,5-三嗪-2,4-二胺?
The molecular weight of 6-(4-氯苯基)-1,3,5-三嗪-2,4-二胺 is 221.05 g/mol.
Where can I buy 6-(4-氯苯基)-1,3,5-三嗪-2,4-二胺?
You can request a quote for 6-(4-氯苯基)-1,3,5-三嗪-2,4-二胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-氯苯基)-1,3,5-三嗪-2,4-二胺?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-氯苯基)-1,3,5-三嗪-2,4-二胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.