6-(2,4,5-Trichlorophenyl)sulfanylpteridine-2,4-diamine
TL;DR: 6-(2,4,5-Trichlorophenyl)sulfanylpteridine-2,4-diamine (CAS 77900-94-8) is a chemical compound with molecular formula C12H7Cl3N6S and molecular weight 371.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2,4,5-trichlorophenyl)sulfanylpteridine-2,4-diamine
Also Known As: 6-(2,4,5-trichlorophenyl)sulfanylpteridine-2,4-diamine, 2,4-Diamino-6-[[2,4,5-trichlorophenyl]thio]pteridine, 6-[(2,4,5-Trichlorophenyl)sulfanyl]pteridine-2,4-diamine, 6-[(2,4,5-Trichlorophenyl)sulfanyl]-2,4-pteridinediamine #, RefChem:306466
| Molecular Formula | C12H7Cl3N6S |
|---|---|
| Molecular Weight | 371.95 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 371.95184 |
| Heavy Atoms | 22 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 77900-94-8 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Cl)Cl)Cl)SC2=CN=C3C(=N2)C(=NC(=N3)N)N |
| InChIKey | PGLOMWWRBMRVAZ-UHFFFAOYSA-N |
Product Overview
6-(2,4,5-Trichlorophenyl)sulfanylpteridine-2,4-diamine (CAS 77900-94-8), with molecular formula C12H7Cl3N6S and molecular weight 371.95 g/mol. IUPAC: 6-(2,4,5-trichlorophenyl)sulfanylpteridine-2,4-diamine.
Chemical Property Profile of 6-(2,4,5-Trichlorophenyl)sulfanylpteridine-2,4-diamine
Property Insights of 6-(2,4,5-Trichlorophenyl)sulfanylpteridine-2,4-diamine
The XLogP value of 3.4 indicates that 6-(2,4,5-Trichlorophenyl)sulfanylpteridine-2,4-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(2,4,5-Trichlorophenyl)sulfanylpteridine-2,4-diamine. Following Lipinski's Rule of Five, 6-(2,4,5-Trichlorophenyl)sulfanylpteridine-2,4-diamine has 2 hydrogen bond donor(s) and 7 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-(2,4,5-Trichlorophenyl)sulfanylpteridine-2,4-diamine?
The CAS number of 6-(2,4,5-Trichlorophenyl)sulfanylpteridine-2,4-diamine is 77900-94-8.
What is the molecular formula of 6-(2,4,5-Trichlorophenyl)sulfanylpteridine-2,4-diamine?
The molecular formula of 6-(2,4,5-Trichlorophenyl)sulfanylpteridine-2,4-diamine is C12H7Cl3N6S.
What is the molecular weight of 6-(2,4,5-Trichlorophenyl)sulfanylpteridine-2,4-diamine?
The molecular weight of 6-(2,4,5-Trichlorophenyl)sulfanylpteridine-2,4-diamine is 371.95 g/mol.
Where can I buy 6-(2,4,5-Trichlorophenyl)sulfanylpteridine-2,4-diamine?
You can request a quote for 6-(2,4,5-Trichlorophenyl)sulfanylpteridine-2,4-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(2,4,5-Trichlorophenyl)sulfanylpteridine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for 6-(2,4,5-Trichlorophenyl)sulfanylpteridine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.