4,6-Diamino-1,2-dihydro-2,2-dimethyl-1-(4-phenylthiomethylphenyl)-1,3,5-triazine
TL;DR: 4,6-Diamino-1,2-dihydro-2,2-dimethyl-1-(4-phenylthiomethylphenyl)-1,3,5-triazine (CAS 87739-93-3) is a chemical compound with molecular formula C18H21N5S and molecular weight 339.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6-dimethyl-1-[4-(phenylsulfanylmethyl)phenyl]-1,3,5-triazine-2,4-diamine
Also Known As: 4,6-Dddppt, 4,6-Diamino-1,2-dihydro-2,2-dimethyl-1-(4-phenylthiomethylphenyl)-1,3,5-triazine, 1,3,5-Triazine-2,4-diamine,1,6-dihydro-6,6-dimethyl-1-[4-[(phenylthio)methyl]phenyl]-, 6,6-dimethyl-1-[4-(phenylsulfanylmethyl)phenyl]-1,3,5-triazine-2,4-diamine, 6,6-Dimethyl-1-{4-[(phenylsulfanyl)methyl]phenyl}-1,6-dihydro-1,3,5-triazine-2,4-diamine
| Molecular Formula | C18H21N5S |
|---|---|
| Molecular Weight | 339.15 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.15176 |
| Heavy Atoms | 24 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 87739-93-3 |
|---|---|
| SMILES | CC1(N=C(N=C(N1C2=CC=C(C=C2)CSC3=CC=CC=C3)N)N)C |
| InChIKey | OBTLMBWEMHGRBX-UHFFFAOYSA-N |
Product Overview
4,6-Diamino-1,2-dihydro-2,2-dimethyl-1-(4-phenylthiomethylphenyl)-1,3,5-triazine (CAS 87739-93-3), with molecular formula C18H21N5S and molecular weight 339.15 g/mol. IUPAC: 6,6-dimethyl-1-[4-(phenylsulfanylmethyl)phenyl]-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of 4,6-Diamino-1,2-dihydro-2,2-dimethyl-1-(4-phenylthiomethylphenyl)-1,3,5-triazine
Property Insights of 4,6-Diamino-1,2-dihydro-2,2-dimethyl-1-(4-phenylthiomethylphenyl)-1,3,5-triazine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Diamino-1,2-dihydro-2,2-dimethyl-1-(4-phenylthiomethylphenyl)-1,3,5-triazine. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Diamino-1,2-dihydro-2,2-dimethyl-1-(4-phenylthiomethylphenyl)-1,3,5-triazine. Following Lipinski's Rule of Five, 4,6-Diamino-1,2-dihydro-2,2-dimethyl-1-(4-phenylthiomethylphenyl)-1,3,5-triazine has 2 hydrogen bond donor(s) and 2 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 4,6-Diamino-1,2-dihydro-2,2-dimethyl-1-(4-phenylthiomethylphenyl)-1,3,5-triazine?
The CAS number of 4,6-Diamino-1,2-dihydro-2,2-dimethyl-1-(4-phenylthiomethylphenyl)-1,3,5-triazine is 87739-93-3.
What is the molecular formula of 4,6-Diamino-1,2-dihydro-2,2-dimethyl-1-(4-phenylthiomethylphenyl)-1,3,5-triazine?
The molecular formula of 4,6-Diamino-1,2-dihydro-2,2-dimethyl-1-(4-phenylthiomethylphenyl)-1,3,5-triazine is C18H21N5S.
What is the molecular weight of 4,6-Diamino-1,2-dihydro-2,2-dimethyl-1-(4-phenylthiomethylphenyl)-1,3,5-triazine?
The molecular weight of 4,6-Diamino-1,2-dihydro-2,2-dimethyl-1-(4-phenylthiomethylphenyl)-1,3,5-triazine is 339.15 g/mol.
Where can I buy 4,6-Diamino-1,2-dihydro-2,2-dimethyl-1-(4-phenylthiomethylphenyl)-1,3,5-triazine?
You can request a quote for 4,6-Diamino-1,2-dihydro-2,2-dimethyl-1-(4-phenylthiomethylphenyl)-1,3,5-triazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Diamino-1,2-dihydro-2,2-dimethyl-1-(4-phenylthiomethylphenyl)-1,3,5-triazine?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Diamino-1,2-dihydro-2,2-dimethyl-1-(4-phenylthiomethylphenyl)-1,3,5-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.