![2-[(2-Chlorobenzyl)thio]pyrimidin-4-ol structure](/static/products/7225/72255-35-7.webp)
2-[(2-Chlorobenzyl)thio]pyrimidin-4-ol
TL;DR: 2-[(2-Chlorobenzyl)thio]pyrimidin-4-ol (CAS 72255-35-7) is a chemical compound with molecular formula C11H9ClN2OS and molecular weight 252.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanyl]-1H-pyrimidin-6-one
Also Known As: ChemDiv2_000889, ChemDiv3_005028, 2-[(2-chlorobenzyl)thio]pyrimidin-4-ol, IDI1_022938, 2-[(2-chlorophenyl)methylsulfanyl]-1H-pyrimidin-6-one
| Molecular Formula | C11H9ClN2OS |
|---|---|
| Molecular Weight | 252.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.0124 |
| Heavy Atoms | 16 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 72255-35-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NC=CC(=O)N2)Cl |
| InChIKey | LRMVCGYKVVHRCB-UHFFFAOYSA-N |
Product Overview
2-[(2-Chlorobenzyl)thio]pyrimidin-4-ol (CAS 72255-35-7), with molecular formula C11H9ClN2OS and molecular weight 252.01 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-1H-pyrimidin-6-one.
Chemical Property Profile of 2-[(2-Chlorobenzyl)thio]pyrimidin-4-ol
Property Insights of 2-[(2-Chlorobenzyl)thio]pyrimidin-4-ol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Chlorobenzyl)thio]pyrimidin-4-ol. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Chlorobenzyl)thio]pyrimidin-4-ol. Following Lipinski's Rule of Five, 2-[(2-Chlorobenzyl)thio]pyrimidin-4-ol has 1 hydrogen bond donor(s) and 3 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-[(2-Chlorobenzyl)thio]pyrimidin-4-ol?
The CAS number of 2-[(2-Chlorobenzyl)thio]pyrimidin-4-ol is 72255-35-7.
What is the molecular formula of 2-[(2-Chlorobenzyl)thio]pyrimidin-4-ol?
The molecular formula of 2-[(2-Chlorobenzyl)thio]pyrimidin-4-ol is C11H9ClN2OS.
What is the molecular weight of 2-[(2-Chlorobenzyl)thio]pyrimidin-4-ol?
The molecular weight of 2-[(2-Chlorobenzyl)thio]pyrimidin-4-ol is 252.01 g/mol.
Where can I buy 2-[(2-Chlorobenzyl)thio]pyrimidin-4-ol?
You can request a quote for 2-[(2-Chlorobenzyl)thio]pyrimidin-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-Chlorobenzyl)thio]pyrimidin-4-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Chlorobenzyl)thio]pyrimidin-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.