4-Pyrimidinamine, 6-(butylthio)-2-chloro-
TL;DR: 4-Pyrimidinamine, 6-(butylthio)-2-chloro- (CAS 28649-06-1) is a chemical compound with molecular formula C8H12ClN3S and molecular weight 217.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-butylsulfanyl-2-chloropyrimidin-4-amine
Also Known As: 4-Pyrimidinamine, 6-(butylthio)-2-chloro-, 6-(butylsulfanyl)-2-chloropyrimidin-4-amine, 6-(Butylthio)-2-chloropyrimidin-4-amine, 6-Butylsulfanyl-2-chloro-pyrimidin-4-ylamine, 6-butylsulfanyl-2-chloropyrimidin-4-amine
| Molecular Formula | C8H12ClN3S |
|---|---|
| Molecular Weight | 217.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.04405 |
| Heavy Atoms | 13 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 28649-06-1 |
|---|---|
| SMILES | CCCCSC1=NC(=NC(=C1)N)Cl |
| InChIKey | XDAQYULMPAUSQV-UHFFFAOYSA-N |
Product Overview
4-Pyrimidinamine, 6-(butylthio)-2-chloro- (CAS 28649-06-1), with molecular formula C8H12ClN3S and molecular weight 217.04 g/mol. IUPAC: 6-butylsulfanyl-2-chloropyrimidin-4-amine.
Chemical Property Profile of 4-Pyrimidinamine, 6-(butylthio)-2-chloro-
Property Insights of 4-Pyrimidinamine, 6-(butylthio)-2-chloro-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pyrimidinamine, 6-(butylthio)-2-chloro-. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Pyrimidinamine, 6-(butylthio)-2-chloro-. Following Lipinski's Rule of Five, 4-Pyrimidinamine, 6-(butylthio)-2-chloro- 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-Pyrimidinamine, 6-(butylthio)-2-chloro-?
The CAS number of 4-Pyrimidinamine, 6-(butylthio)-2-chloro- is 28649-06-1.
What is the molecular formula of 4-Pyrimidinamine, 6-(butylthio)-2-chloro-?
The molecular formula of 4-Pyrimidinamine, 6-(butylthio)-2-chloro- is C8H12ClN3S.
What is the molecular weight of 4-Pyrimidinamine, 6-(butylthio)-2-chloro-?
The molecular weight of 4-Pyrimidinamine, 6-(butylthio)-2-chloro- is 217.04 g/mol.
Where can I buy 4-Pyrimidinamine, 6-(butylthio)-2-chloro-?
You can request a quote for 4-Pyrimidinamine, 6-(butylthio)-2-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pyrimidinamine, 6-(butylthio)-2-chloro-?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyrimidinamine, 6-(butylthio)-2-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.