Benzenamine, N-(6-((4,6-dimethyl-2-pyrimidinyl)thio)hexyl)-
TL;DR: Benzenamine, N-(6-((4,6-dimethyl-2-pyrimidinyl)thio)hexyl)- (CAS 90094-34-1) is a chemical compound with molecular formula C18H25N3S and molecular weight 315.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexyl]aniline
Also Known As: 2-((5-Anilinohexyl)thio)-4,6-dimethylpyrimidine, Pyrimidine, 2-((5-anilinohexyl)thio)-4,6-dimethyl-, BENZENAMINE, N-(6-((4,6-DIMETHYL-2-PYRIMIDINYL)THIO)HEXYL)-, N-{6-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]hexyl}aniline, N-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexyl]aniline
| Molecular Formula | C18H25N3S |
|---|---|
| Molecular Weight | 315.18 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 63.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 315.1769 |
| Heavy Atoms | 22 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 90094-34-1 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCCCCCCNC2=CC=CC=C2)C |
| InChIKey | PXJXGJSPSWHDSF-UHFFFAOYSA-N |
Product Overview
Benzenamine, N-(6-((4,6-dimethyl-2-pyrimidinyl)thio)hexyl)- (CAS 90094-34-1), with molecular formula C18H25N3S and molecular weight 315.18 g/mol. IUPAC: N-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexyl]aniline.
Chemical Property Profile of Benzenamine, N-(6-((4,6-dimethyl-2-pyrimidinyl)thio)hexyl)-
Property Insights of Benzenamine, N-(6-((4,6-dimethyl-2-pyrimidinyl)thio)hexyl)-
The XLogP value of 5.0 indicates that Benzenamine, N-(6-((4,6-dimethyl-2-pyrimidinyl)thio)hexyl)- 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 Benzenamine, N-(6-((4,6-dimethyl-2-pyrimidinyl)thio)hexyl)-. Following Lipinski's Rule of Five, Benzenamine, N-(6-((4,6-dimethyl-2-pyrimidinyl)thio)hexyl)- 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 Benzenamine, N-(6-((4,6-dimethyl-2-pyrimidinyl)thio)hexyl)-?
The CAS number of Benzenamine, N-(6-((4,6-dimethyl-2-pyrimidinyl)thio)hexyl)- is 90094-34-1.
What is the molecular formula of Benzenamine, N-(6-((4,6-dimethyl-2-pyrimidinyl)thio)hexyl)-?
The molecular formula of Benzenamine, N-(6-((4,6-dimethyl-2-pyrimidinyl)thio)hexyl)- is C18H25N3S.
What is the molecular weight of Benzenamine, N-(6-((4,6-dimethyl-2-pyrimidinyl)thio)hexyl)-?
The molecular weight of Benzenamine, N-(6-((4,6-dimethyl-2-pyrimidinyl)thio)hexyl)- is 315.18 g/mol.
Where can I buy Benzenamine, N-(6-((4,6-dimethyl-2-pyrimidinyl)thio)hexyl)-?
You can request a quote for Benzenamine, N-(6-((4,6-dimethyl-2-pyrimidinyl)thio)hexyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, N-(6-((4,6-dimethyl-2-pyrimidinyl)thio)hexyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, N-(6-((4,6-dimethyl-2-pyrimidinyl)thio)hexyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.