2-(Benzyl(6-chloro-2-(methylsulfanyl)-4-pyrimidinyl)amino)-1-ethanol
TL;DR: 2-(Benzyl(6-chloro-2-(methylsulfanyl)-4-pyrimidinyl)amino)-1-ethanol (CAS 339017-87-7) is a chemical compound with molecular formula C14H16ClN3OS and molecular weight 309.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[benzyl-(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]ethanol
Also Known As: 7M-833, 2-(Benzyl(6-chloro-2-(methylsulfanyl)-4-pyrimidinyl)amino)-1-ethanol, 2-{benzyl[6-chloro-2-(methylsulfanyl)-4-pyrimidinyl]amino}-1-ethanol, 2-{benzyl[6-chloro-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethan-1-ol, 2-[benzyl-(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]ethanol
| Molecular Formula | C14H16ClN3OS |
|---|---|
| Molecular Weight | 309.07 g/mol |
| LogP | 2.8508 |
| Topological Polar Surface Area | 49.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.07025 |
| Heavy Atoms | 20 |
| Complexity | 553.37024 |
Chemical Identifiers
| CAS Number | 339017-87-7 |
|---|---|
| SMILES | CSC1=NC(=CC(=N1)Cl)N(CCO)CC2=CC=CC=C2 |
Product Overview
2-(Benzyl(6-chloro-2-(methylsulfanyl)-4-pyrimidinyl)amino)-1-ethanol (CAS 339017-87-7), with molecular formula C14H16ClN3OS and molecular weight 309.07 g/mol. IUPAC: 2-[benzyl-(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]ethanol.
Chemical Property Profile of 2-(Benzyl(6-chloro-2-(methylsulfanyl)-4-pyrimidinyl)amino)-1-ethanol
Property Insights of 2-(Benzyl(6-chloro-2-(methylsulfanyl)-4-pyrimidinyl)amino)-1-ethanol
The XLogP value of 2.8508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzyl(6-chloro-2-(methylsulfanyl)-4-pyrimidinyl)amino)-1-ethanol. With a topological polar surface area (TPSA) of 49.25 Ų, 2-(Benzyl(6-chloro-2-(methylsulfanyl)-4-pyrimidinyl)amino)-1-ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzyl(6-chloro-2-(methylsulfanyl)-4-pyrimidinyl)amino)-1-ethanol has 1 hydrogen bond donor(s) and 5 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 2-(Benzyl(6-chloro-2-(methylsulfanyl)-4-pyrimidinyl)amino)-1-ethanol?
The CAS number of 2-(Benzyl(6-chloro-2-(methylsulfanyl)-4-pyrimidinyl)amino)-1-ethanol is 339017-87-7.
What is the molecular formula of 2-(Benzyl(6-chloro-2-(methylsulfanyl)-4-pyrimidinyl)amino)-1-ethanol?
The molecular formula of 2-(Benzyl(6-chloro-2-(methylsulfanyl)-4-pyrimidinyl)amino)-1-ethanol is C14H16ClN3OS.
What is the molecular weight of 2-(Benzyl(6-chloro-2-(methylsulfanyl)-4-pyrimidinyl)amino)-1-ethanol?
The molecular weight of 2-(Benzyl(6-chloro-2-(methylsulfanyl)-4-pyrimidinyl)amino)-1-ethanol is 309.07 g/mol.
Where can I buy 2-(Benzyl(6-chloro-2-(methylsulfanyl)-4-pyrimidinyl)amino)-1-ethanol?
You can request a quote for 2-(Benzyl(6-chloro-2-(methylsulfanyl)-4-pyrimidinyl)amino)-1-ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzyl(6-chloro-2-(methylsulfanyl)-4-pyrimidinyl)amino)-1-ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzyl(6-chloro-2-(methylsulfanyl)-4-pyrimidinyl)amino)-1-ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.