![4-[(4,6-Dimethoxypyrimidin-2-yl)methylsulfanyl]aniline structure](/static/products/3978/397873-15-3.webp)
4-[(4,6-Dimethoxypyrimidin-2-yl)methylsulfanyl]aniline
TL;DR: 4-[(4,6-Dimethoxypyrimidin-2-yl)methylsulfanyl]aniline (CAS 397873-15-3) is a chemical compound with molecular formula C13H15N3O2S and molecular weight 277.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]aniline
Also Known As: Peakdale1_000880, 4-[(4,6-Dimethoxypyrimidin-2-yl)methylthio]benzamine, 4-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]aniline, 4-{[(4,6-dimethoxypyrimidin-2-yl)methyl]sulfanyl}aniline
| Molecular Formula | C13H15N3O2S |
|---|---|
| Molecular Weight | 277.09 g/mol |
| LogP | 2.3683 |
| Topological Polar Surface Area | 70.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.0885 |
| Heavy Atoms | 19 |
| Complexity | 523.83466 |
Chemical Identifiers
| CAS Number | 397873-15-3 |
|---|---|
| SMILES | COC1=CC(=NC(=N1)CSC2=CC=C(C=C2)N)OC |
Product Overview
4-[(4,6-Dimethoxypyrimidin-2-yl)methylsulfanyl]aniline (CAS 397873-15-3), with molecular formula C13H15N3O2S and molecular weight 277.09 g/mol. IUPAC: 4-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]aniline.
Chemical Property Profile of 4-[(4,6-Dimethoxypyrimidin-2-yl)methylsulfanyl]aniline
Property Insights of 4-[(4,6-Dimethoxypyrimidin-2-yl)methylsulfanyl]aniline
The XLogP value of 2.3683 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4,6-Dimethoxypyrimidin-2-yl)methylsulfanyl]aniline. The TPSA of 70.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4,6-Dimethoxypyrimidin-2-yl)methylsulfanyl]aniline. Following Lipinski's Rule of Five, 4-[(4,6-Dimethoxypyrimidin-2-yl)methylsulfanyl]aniline has 1 hydrogen bond donor(s) and 6 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-[(4,6-Dimethoxypyrimidin-2-yl)methylsulfanyl]aniline?
The CAS number of 4-[(4,6-Dimethoxypyrimidin-2-yl)methylsulfanyl]aniline is 397873-15-3.
What is the molecular formula of 4-[(4,6-Dimethoxypyrimidin-2-yl)methylsulfanyl]aniline?
The molecular formula of 4-[(4,6-Dimethoxypyrimidin-2-yl)methylsulfanyl]aniline is C13H15N3O2S.
What is the molecular weight of 4-[(4,6-Dimethoxypyrimidin-2-yl)methylsulfanyl]aniline?
The molecular weight of 4-[(4,6-Dimethoxypyrimidin-2-yl)methylsulfanyl]aniline is 277.09 g/mol.
Where can I buy 4-[(4,6-Dimethoxypyrimidin-2-yl)methylsulfanyl]aniline?
You can request a quote for 4-[(4,6-Dimethoxypyrimidin-2-yl)methylsulfanyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4,6-Dimethoxypyrimidin-2-yl)methylsulfanyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4,6-Dimethoxypyrimidin-2-yl)methylsulfanyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.