![4-{[6-Chloro-2-(methylsulfanyl)-4-pyrimidinyl]amino}benzenol structure](/static/products/4782/478258-36-5.webp)
4-{[6-Chloro-2-(methylsulfanyl)-4-pyrimidinyl]amino}benzenol
TL;DR: 4-{[6-Chloro-2-(methylsulfanyl)-4-pyrimidinyl]amino}benzenol (CAS 478258-36-5) is a chemical compound with molecular formula C11H10ClN3OS and molecular weight 267.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]phenol
Also Known As: 4-{[6-chloro-2-(methylsulfanyl)-4-pyrimidinyl]amino}benzenol, 4-{[6-chloro-2-(methylsulfanyl)pyrimidin-4-yl]amino}phenol, 4-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]phenol, 4-[(6-chloro-2-methylsulfanyl-pyrimidin-4-yl)amino]phenol
| Molecular Formula | C11H10ClN3OS |
|---|---|
| Molecular Weight | 267.02 g/mol |
| LogP | 3.3011 |
| Topological Polar Surface Area | 58.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.02332 |
| Heavy Atoms | 17 |
| Complexity | 518.62506 |
Chemical Identifiers
| CAS Number | 478258-36-5 |
|---|---|
| SMILES | CSC1=NC(=CC(=N1)Cl)NC2=CC=C(C=C2)O |
Product Overview
4-{[6-Chloro-2-(methylsulfanyl)-4-pyrimidinyl]amino}benzenol (CAS 478258-36-5), with molecular formula C11H10ClN3OS and molecular weight 267.02 g/mol. IUPAC: 4-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]phenol.
Chemical Property Profile of 4-{[6-Chloro-2-(methylsulfanyl)-4-pyrimidinyl]amino}benzenol
Property Insights of 4-{[6-Chloro-2-(methylsulfanyl)-4-pyrimidinyl]amino}benzenol
The XLogP value of 3.3011 indicates that 4-{[6-Chloro-2-(methylsulfanyl)-4-pyrimidinyl]amino}benzenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.04 Ų, 4-{[6-Chloro-2-(methylsulfanyl)-4-pyrimidinyl]amino}benzenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[6-Chloro-2-(methylsulfanyl)-4-pyrimidinyl]amino}benzenol has 2 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 4-{[6-Chloro-2-(methylsulfanyl)-4-pyrimidinyl]amino}benzenol?
The CAS number of 4-{[6-Chloro-2-(methylsulfanyl)-4-pyrimidinyl]amino}benzenol is 478258-36-5.
What is the molecular formula of 4-{[6-Chloro-2-(methylsulfanyl)-4-pyrimidinyl]amino}benzenol?
The molecular formula of 4-{[6-Chloro-2-(methylsulfanyl)-4-pyrimidinyl]amino}benzenol is C11H10ClN3OS.
What is the molecular weight of 4-{[6-Chloro-2-(methylsulfanyl)-4-pyrimidinyl]amino}benzenol?
The molecular weight of 4-{[6-Chloro-2-(methylsulfanyl)-4-pyrimidinyl]amino}benzenol is 267.02 g/mol.
Where can I buy 4-{[6-Chloro-2-(methylsulfanyl)-4-pyrimidinyl]amino}benzenol?
You can request a quote for 4-{[6-Chloro-2-(methylsulfanyl)-4-pyrimidinyl]amino}benzenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[6-Chloro-2-(methylsulfanyl)-4-pyrimidinyl]amino}benzenol?
Yes, KEHONG BIO provides custom synthesis services for 4-{[6-Chloro-2-(methylsulfanyl)-4-pyrimidinyl]amino}benzenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.