![6-[(4-Chlorobenzyl)sulfanyl]-n4-methylpyrimidine-2,4-diamine structure](/static/products/821/82137-66-4.png)
6-[(4-Chlorobenzyl)sulfanyl]-n4-methylpyrimidine-2,4-diamine
TL;DR: 6-[(4-Chlorobenzyl)sulfanyl]-n4-methylpyrimidine-2,4-diamine (CAS 82137-66-4) is a chemical compound with molecular formula C12H13ClN4S and molecular weight 280.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-chlorophenyl)methylsulfanyl]-4-N-methylpyrimidine-2,4-diamine
Also Known As: 6-[(4-chlorobenzyl)sulfanyl]-n4-methylpyrimidine-2,4-diamine, 6-[(4-chlorophenyl)methylsulfanyl]-4-N-methylpyrimidine-2,4-diamine, 6-{[(4-Chlorophenyl)methyl]sulfanyl}-N~4~-methylpyrimidine-2,4-diamine
| Molecular Formula | C12H13ClN4S |
|---|---|
| Molecular Weight | 280.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.05493 |
| Heavy Atoms | 18 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 82137-66-4 |
|---|---|
| SMILES | CNC1=CC(=NC(=N1)N)SCC2=CC=C(C=C2)Cl |
| InChIKey | QXVGHNNWAYBJOR-UHFFFAOYSA-N |
Product Overview
6-[(4-Chlorobenzyl)sulfanyl]-n4-methylpyrimidine-2,4-diamine (CAS 82137-66-4), with molecular formula C12H13ClN4S and molecular weight 280.05 g/mol. IUPAC: 6-[(4-chlorophenyl)methylsulfanyl]-4-N-methylpyrimidine-2,4-diamine.
Chemical Property Profile of 6-[(4-Chlorobenzyl)sulfanyl]-n4-methylpyrimidine-2,4-diamine
Property Insights of 6-[(4-Chlorobenzyl)sulfanyl]-n4-methylpyrimidine-2,4-diamine
The XLogP value of 3.1 indicates that 6-[(4-Chlorobenzyl)sulfanyl]-n4-methylpyrimidine-2,4-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(4-Chlorobenzyl)sulfanyl]-n4-methylpyrimidine-2,4-diamine. Following Lipinski's Rule of Five, 6-[(4-Chlorobenzyl)sulfanyl]-n4-methylpyrimidine-2,4-diamine 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-Chlorobenzyl)sulfanyl]-n4-methylpyrimidine-2,4-diamine?
The CAS number of 6-[(4-Chlorobenzyl)sulfanyl]-n4-methylpyrimidine-2,4-diamine is 82137-66-4.
What is the molecular formula of 6-[(4-Chlorobenzyl)sulfanyl]-n4-methylpyrimidine-2,4-diamine?
The molecular formula of 6-[(4-Chlorobenzyl)sulfanyl]-n4-methylpyrimidine-2,4-diamine is C12H13ClN4S.
What is the molecular weight of 6-[(4-Chlorobenzyl)sulfanyl]-n4-methylpyrimidine-2,4-diamine?
The molecular weight of 6-[(4-Chlorobenzyl)sulfanyl]-n4-methylpyrimidine-2,4-diamine is 280.05 g/mol.
Where can I buy 6-[(4-Chlorobenzyl)sulfanyl]-n4-methylpyrimidine-2,4-diamine?
You can request a quote for 6-[(4-Chlorobenzyl)sulfanyl]-n4-methylpyrimidine-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-[(4-Chlorobenzyl)sulfanyl]-n4-methylpyrimidine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for 6-[(4-Chlorobenzyl)sulfanyl]-n4-methylpyrimidine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.