4,6-Pyrimidinediamine, 2-(butylthio)-N-1-naphthalenyl-
TL;DR: 4,6-Pyrimidinediamine, 2-(butylthio)-N-1-naphthalenyl- (CAS 28649-09-4) is a chemical compound with molecular formula C18H20N4S and molecular weight 324.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylsulfanyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine
Also Known As: 4,6-Pyrimidinediamine, 2-(butylthio)-N-1-naphthalenyl-, 2-n-Butylthio-6-(1-naphthylamion)-4-aminopyrimidine, J1.320.192G, 2-(butylsulfanyl)-n-naphthalen-1-ylpyrimidine-4,6-diamine, 2-(Butylthio)-6-(1-naphthylamino)-4-pyrimidinamine
| Molecular Formula | C18H20N4S |
|---|---|
| Molecular Weight | 324.14 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.14087 |
| Heavy Atoms | 23 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 28649-09-4 |
|---|---|
| SMILES | CCCCSC1=NC(=CC(=N1)NC2=CC=CC3=CC=CC=C32)N |
| InChIKey | NFBGZNOWVFMHBE-UHFFFAOYSA-N |
Product Overview
4,6-Pyrimidinediamine, 2-(butylthio)-N-1-naphthalenyl- (CAS 28649-09-4), with molecular formula C18H20N4S and molecular weight 324.14 g/mol. IUPAC: 2-butylsulfanyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine.
Chemical Property Profile of 4,6-Pyrimidinediamine, 2-(butylthio)-N-1-naphthalenyl-
Property Insights of 4,6-Pyrimidinediamine, 2-(butylthio)-N-1-naphthalenyl-
The XLogP value of 5.1 indicates that 4,6-Pyrimidinediamine, 2-(butylthio)-N-1-naphthalenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Pyrimidinediamine, 2-(butylthio)-N-1-naphthalenyl-. Following Lipinski's Rule of Five, 4,6-Pyrimidinediamine, 2-(butylthio)-N-1-naphthalenyl- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,6-Pyrimidinediamine, 2-(butylthio)-N-1-naphthalenyl-?
The CAS number of 4,6-Pyrimidinediamine, 2-(butylthio)-N-1-naphthalenyl- is 28649-09-4.
What is the molecular formula of 4,6-Pyrimidinediamine, 2-(butylthio)-N-1-naphthalenyl-?
The molecular formula of 4,6-Pyrimidinediamine, 2-(butylthio)-N-1-naphthalenyl- is C18H20N4S.
What is the molecular weight of 4,6-Pyrimidinediamine, 2-(butylthio)-N-1-naphthalenyl-?
The molecular weight of 4,6-Pyrimidinediamine, 2-(butylthio)-N-1-naphthalenyl- is 324.14 g/mol.
Where can I buy 4,6-Pyrimidinediamine, 2-(butylthio)-N-1-naphthalenyl-?
You can request a quote for 4,6-Pyrimidinediamine, 2-(butylthio)-N-1-naphthalenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Pyrimidinediamine, 2-(butylthio)-N-1-naphthalenyl-?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Pyrimidinediamine, 2-(butylthio)-N-1-naphthalenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.