N-butan-2-yl-4-chloro-6-methylsulfanyl-1,3,5-triazin-2-amine
TL;DR: N-butan-2-yl-4-chloro-6-methylsulfanyl-1,3,5-triazin-2-amine (CAS 4658-30-4) is a chemical compound with molecular formula C8H13ClN4S and molecular weight 232.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butan-2-yl-4-chloro-6-methylsulfanyl-1,3,5-triazin-2-amine
Also Known As: N-butan-2-yl-4-chloro-6-methylsulfanyl-1,3,5-triazin-2-amine, 2-CHLORO-4-ISOBUTYLAMINO-6-METHYLTHIO-S-TRIAZI*, N-(butan-2-yl)-4-chloro-6-(methylsulfanyl)-1,3,5-triazin-2-amine
| Molecular Formula | C8H13ClN4S |
|---|---|
| Molecular Weight | 232.05 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.05495 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 4658-30-4 |
|---|---|
| SMILES | CCC(C)NC1=NC(=NC(=N1)Cl)SC |
| InChIKey | NIPALVAJXSZZMA-UHFFFAOYSA-N |
Product Overview
N-butan-2-yl-4-chloro-6-methylsulfanyl-1,3,5-triazin-2-amine (CAS 4658-30-4), with molecular formula C8H13ClN4S and molecular weight 232.05 g/mol. IUPAC: N-butan-2-yl-4-chloro-6-methylsulfanyl-1,3,5-triazin-2-amine.
Chemical Property Profile of N-butan-2-yl-4-chloro-6-methylsulfanyl-1,3,5-triazin-2-amine
Property Insights of N-butan-2-yl-4-chloro-6-methylsulfanyl-1,3,5-triazin-2-amine
The XLogP value of 3.6 indicates that N-butan-2-yl-4-chloro-6-methylsulfanyl-1,3,5-triazin-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butan-2-yl-4-chloro-6-methylsulfanyl-1,3,5-triazin-2-amine. Following Lipinski's Rule of Five, N-butan-2-yl-4-chloro-6-methylsulfanyl-1,3,5-triazin-2-amine has 1 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 N-butan-2-yl-4-chloro-6-methylsulfanyl-1,3,5-triazin-2-amine?
The CAS number of N-butan-2-yl-4-chloro-6-methylsulfanyl-1,3,5-triazin-2-amine is 4658-30-4.
What is the molecular formula of N-butan-2-yl-4-chloro-6-methylsulfanyl-1,3,5-triazin-2-amine?
The molecular formula of N-butan-2-yl-4-chloro-6-methylsulfanyl-1,3,5-triazin-2-amine is C8H13ClN4S.
What is the molecular weight of N-butan-2-yl-4-chloro-6-methylsulfanyl-1,3,5-triazin-2-amine?
The molecular weight of N-butan-2-yl-4-chloro-6-methylsulfanyl-1,3,5-triazin-2-amine is 232.05 g/mol.
Where can I buy N-butan-2-yl-4-chloro-6-methylsulfanyl-1,3,5-triazin-2-amine?
You can request a quote for N-butan-2-yl-4-chloro-6-methylsulfanyl-1,3,5-triazin-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butan-2-yl-4-chloro-6-methylsulfanyl-1,3,5-triazin-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-butan-2-yl-4-chloro-6-methylsulfanyl-1,3,5-triazin-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.