5-(2,4-dichlorobenzyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-4,6-pyrimidinediamine
TL;DR: 5-(2,4-dichlorobenzyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-4,6-pyrimidinediamine (CAS 338965-11-0) is a chemical compound with molecular formula C14H13Cl2N7 and molecular weight 349.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2,4-dichlorophenyl)methyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine-4,6-diamine
Also Known As: Bionet1_002716, 5-(2,4-dichlorobenzyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-4,6-pyrimidinediamine, 6K-013, 5-[(2,4-dichlorophenyl)methyl]-2-[(1H-1,2,4-triazol-1-yl)methyl]pyrimidine-4,6-diamine, 5-[(2,4-dichlorophenyl)methyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine-4,6-diamine
| Molecular Formula | C14H13Cl2N7 |
|---|---|
| Molecular Weight | 349.06 g/mol |
| LogP | 2.1784 |
| Topological Polar Surface Area | 108.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.06094 |
| Heavy Atoms | 23 |
| Complexity | 810.1422 |
Chemical Identifiers
| CAS Number | 338965-11-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)CC2=C(N=C(N=C2N)CN3C=NC=N3)N |
Product Overview
5-(2,4-dichlorobenzyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-4,6-pyrimidinediamine (CAS 338965-11-0), with molecular formula C14H13Cl2N7 and molecular weight 349.06 g/mol. IUPAC: 5-[(2,4-dichlorophenyl)methyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine-4,6-diamine.
Chemical Property Profile of 5-(2,4-dichlorobenzyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-4,6-pyrimidinediamine
Property Insights of 5-(2,4-dichlorobenzyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-4,6-pyrimidinediamine
The XLogP value of 2.1784 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2,4-dichlorobenzyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-4,6-pyrimidinediamine. The TPSA of 108.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2,4-dichlorobenzyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-4,6-pyrimidinediamine. Following Lipinski's Rule of Five, 5-(2,4-dichlorobenzyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-4,6-pyrimidinediamine has 2 hydrogen bond donor(s) and 6 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 5-(2,4-dichlorobenzyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-4,6-pyrimidinediamine?
The CAS number of 5-(2,4-dichlorobenzyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-4,6-pyrimidinediamine is 338965-11-0.
What is the molecular formula of 5-(2,4-dichlorobenzyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-4,6-pyrimidinediamine?
The molecular formula of 5-(2,4-dichlorobenzyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-4,6-pyrimidinediamine is C14H13Cl2N7.
What is the molecular weight of 5-(2,4-dichlorobenzyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-4,6-pyrimidinediamine?
The molecular weight of 5-(2,4-dichlorobenzyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-4,6-pyrimidinediamine is 349.06 g/mol.
Where can I buy 5-(2,4-dichlorobenzyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-4,6-pyrimidinediamine?
You can request a quote for 5-(2,4-dichlorobenzyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-4,6-pyrimidinediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2,4-dichlorobenzyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-4,6-pyrimidinediamine?
Yes, KEHONG BIO provides custom synthesis services for 5-(2,4-dichlorobenzyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-4,6-pyrimidinediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.