4-Amino-2-(benzylthio)-6-chloropyrimidine
TL;DR: 4-Amino-2-(benzylthio)-6-chloropyrimidine (CAS 99983-92-3) is a chemical compound with molecular formula C11H10ClN3S and molecular weight 251.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-6-chloropyrimidin-4-amine
Also Known As: 4-Amino-2-(benzylthio)-6-chloropyrimidine, 2-(benzylthio)-6-chloropyrimidin-4-amine, 2-benzylsulfanyl-6-chloropyrimidin-4-amine, U-31,355, 2-Benzylsulfanyl-6-chloro-pyrimidin-4-ylamine
| Molecular Formula | C11H10ClN3S |
|---|---|
| Molecular Weight | 251.03 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.0284 |
| Heavy Atoms | 16 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 99983-92-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N |
| InChIKey | LGTXUPUULSWTNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-2-(benzylthio)-6-chloropyrimidine (CAS 99983-92-3), with molecular formula C11H10ClN3S and molecular weight 251.03 g/mol. IUPAC: 2-benzylsulfanyl-6-chloropyrimidin-4-amine.
Chemical Property Profile of 4-Amino-2-(benzylthio)-6-chloropyrimidine
Property Insights of 4-Amino-2-(benzylthio)-6-chloropyrimidine
The XLogP value of 3.2 indicates that 4-Amino-2-(benzylthio)-6-chloropyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-2-(benzylthio)-6-chloropyrimidine. Following Lipinski's Rule of Five, 4-Amino-2-(benzylthio)-6-chloropyrimidine has 1 hydrogen bond donor(s) and 4 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 4-Amino-2-(benzylthio)-6-chloropyrimidine?
The CAS number of 4-Amino-2-(benzylthio)-6-chloropyrimidine is 99983-92-3.
What is the molecular formula of 4-Amino-2-(benzylthio)-6-chloropyrimidine?
The molecular formula of 4-Amino-2-(benzylthio)-6-chloropyrimidine is C11H10ClN3S.
What is the molecular weight of 4-Amino-2-(benzylthio)-6-chloropyrimidine?
The molecular weight of 4-Amino-2-(benzylthio)-6-chloropyrimidine is 251.03 g/mol.
Where can I buy 4-Amino-2-(benzylthio)-6-chloropyrimidine?
You can request a quote for 4-Amino-2-(benzylthio)-6-chloropyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-2-(benzylthio)-6-chloropyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-2-(benzylthio)-6-chloropyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.