2-(benzylthio)-N-(2,5-dichlorophenyl)-4-pyrimidinamine
TL;DR: 2-(benzylthio)-N-(2,5-dichlorophenyl)-4-pyrimidinamine (CAS 6640-98-8) is a chemical compound with molecular formula C17H13Cl2N3S and molecular weight 361.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-N-(2,5-dichlorophenyl)pyrimidin-4-amine
Also Known As: NCIStruc1_001227, NCIStruc2_001495, NCI60_004150, 2-(benzylthio)-N-(2,5-dichlorophenyl)-4-pyrimidinamine, 2-benzylsulfanyl-N-(2,5-dichlorophenyl)pyrimidin-4-amine
| Molecular Formula | C17H13Cl2N3S |
|---|---|
| Molecular Weight | 361.02 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 63.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.02072 |
| Heavy Atoms | 23 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 6640-98-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC=CC(=N2)NC3=C(C=CC(=C3)Cl)Cl |
| InChIKey | NMZQXFCSDNBWFV-UHFFFAOYSA-N |
Product Overview
2-(benzylthio)-N-(2,5-dichlorophenyl)-4-pyrimidinamine (CAS 6640-98-8), with molecular formula C17H13Cl2N3S and molecular weight 361.02 g/mol. IUPAC: 2-benzylsulfanyl-N-(2,5-dichlorophenyl)pyrimidin-4-amine.
Chemical Property Profile of 2-(benzylthio)-N-(2,5-dichlorophenyl)-4-pyrimidinamine
Property Insights of 2-(benzylthio)-N-(2,5-dichlorophenyl)-4-pyrimidinamine
The XLogP value of 5.7 indicates that 2-(benzylthio)-N-(2,5-dichlorophenyl)-4-pyrimidinamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzylthio)-N-(2,5-dichlorophenyl)-4-pyrimidinamine. Following Lipinski's Rule of Five, 2-(benzylthio)-N-(2,5-dichlorophenyl)-4-pyrimidinamine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(benzylthio)-N-(2,5-dichlorophenyl)-4-pyrimidinamine?
The CAS number of 2-(benzylthio)-N-(2,5-dichlorophenyl)-4-pyrimidinamine is 6640-98-8.
What is the molecular formula of 2-(benzylthio)-N-(2,5-dichlorophenyl)-4-pyrimidinamine?
The molecular formula of 2-(benzylthio)-N-(2,5-dichlorophenyl)-4-pyrimidinamine is C17H13Cl2N3S.
What is the molecular weight of 2-(benzylthio)-N-(2,5-dichlorophenyl)-4-pyrimidinamine?
The molecular weight of 2-(benzylthio)-N-(2,5-dichlorophenyl)-4-pyrimidinamine is 361.02 g/mol.
Where can I buy 2-(benzylthio)-N-(2,5-dichlorophenyl)-4-pyrimidinamine?
You can request a quote for 2-(benzylthio)-N-(2,5-dichlorophenyl)-4-pyrimidinamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzylthio)-N-(2,5-dichlorophenyl)-4-pyrimidinamine?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylthio)-N-(2,5-dichlorophenyl)-4-pyrimidinamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.