n-(3-Chloro-4-methylphenyl)-2,5-bis(methylsulfanyl)pyrimidin-4-amine
TL;DR: n-(3-Chloro-4-methylphenyl)-2,5-bis(methylsulfanyl)pyrimidin-4-amine (CAS 85642-78-0) is a chemical compound with molecular formula C13H14ClN3S2 and molecular weight 311.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)-2,5-bis(methylsulfanyl)pyrimidin-4-amine
Also Known As: NCIOpen2_007310, n-(3-chloro-4-methylphenyl)-2,5-bis(methylsulfanyl)pyrimidin-4-amine, (2,5-Bis-methylsulfanyl-pyrimidin-4-yl)-(3-chloro-4-methyl-phenyl)-amine, N-(3-CHLORO-4-METHYL-PHENYL)-2,5-BIS(METHYLSULFANYL)PYRIMIDIN-4-AMINE
| Molecular Formula | C13H14ClN3S2 |
|---|---|
| Molecular Weight | 311.03 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 88.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.03177 |
| Heavy Atoms | 19 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 85642-78-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC2=NC(=NC=C2SC)SC)Cl |
| InChIKey | VPLOQWZNSDDBMH-UHFFFAOYSA-N |
Product Overview
n-(3-Chloro-4-methylphenyl)-2,5-bis(methylsulfanyl)pyrimidin-4-amine (CAS 85642-78-0), with molecular formula C13H14ClN3S2 and molecular weight 311.03 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-2,5-bis(methylsulfanyl)pyrimidin-4-amine.
Chemical Property Profile of n-(3-Chloro-4-methylphenyl)-2,5-bis(methylsulfanyl)pyrimidin-4-amine
Property Insights of n-(3-Chloro-4-methylphenyl)-2,5-bis(methylsulfanyl)pyrimidin-4-amine
The XLogP value of 4.4 indicates that n-(3-Chloro-4-methylphenyl)-2,5-bis(methylsulfanyl)pyrimidin-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for n-(3-Chloro-4-methylphenyl)-2,5-bis(methylsulfanyl)pyrimidin-4-amine. Following Lipinski's Rule of Five, n-(3-Chloro-4-methylphenyl)-2,5-bis(methylsulfanyl)pyrimidin-4-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-(3-Chloro-4-methylphenyl)-2,5-bis(methylsulfanyl)pyrimidin-4-amine?
The CAS number of n-(3-Chloro-4-methylphenyl)-2,5-bis(methylsulfanyl)pyrimidin-4-amine is 85642-78-0.
What is the molecular formula of n-(3-Chloro-4-methylphenyl)-2,5-bis(methylsulfanyl)pyrimidin-4-amine?
The molecular formula of n-(3-Chloro-4-methylphenyl)-2,5-bis(methylsulfanyl)pyrimidin-4-amine is C13H14ClN3S2.
What is the molecular weight of n-(3-Chloro-4-methylphenyl)-2,5-bis(methylsulfanyl)pyrimidin-4-amine?
The molecular weight of n-(3-Chloro-4-methylphenyl)-2,5-bis(methylsulfanyl)pyrimidin-4-amine is 311.03 g/mol.
Where can I buy n-(3-Chloro-4-methylphenyl)-2,5-bis(methylsulfanyl)pyrimidin-4-amine?
You can request a quote for n-(3-Chloro-4-methylphenyl)-2,5-bis(methylsulfanyl)pyrimidin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-(3-Chloro-4-methylphenyl)-2,5-bis(methylsulfanyl)pyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for n-(3-Chloro-4-methylphenyl)-2,5-bis(methylsulfanyl)pyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.