C13H22ClN3O3S
TL;DR: C13H22ClN3O3S (CAS 1052526-95-0) is a chemical compound with molecular formula C13H22ClN3O3S and molecular weight 335.10703 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-propan-2-yl-1H-pyrimidin-6-one;hydrochloride
Also Known As: 6-hydroxy-5-isopropyl-2-((2-morpholinoethyl)thio)pyrimidin-4(3H)-one hydrochloride, 6-Hydroxy-5-isopropyl-2-(2-morpholin-4-yl-ethylsulfanyl)-3H-pyrimidin-4-one
Technical Specifications
| Molecular Formula | C13H22ClN3O3S |
| Molecular Weight | 335.10703 g/mol |
| XLogP | 1.445 |
| Topological Polar Surface Area (TPSA) | 99.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.10703 Da |
| Heavy Atoms | 21 |
| Complexity | 429.0 |
| SMILES | CC(C)C1=C(N=C(NC1=O)SCCN2CCOCC2)O.Cl |
| InChIKey | XFFRADBJZWRVQW-UHFFFAOYSA-N |
Chemical Property Profile of C13H22ClN3O3S
Property Insights of C13H22ClN3O3S
The XLogP value of 1.445 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C13H22ClN3O3S. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for C13H22ClN3O3S. Following Lipinski's Rule of Five, C13H22ClN3O3S has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C13H22ClN3O3S?
The CAS number of C13H22ClN3O3S is 1052526-95-0.
What is the molecular formula of C13H22ClN3O3S?
The molecular formula of C13H22ClN3O3S is C13H22ClN3O3S.
What is the molecular weight of C13H22ClN3O3S?
The molecular weight of C13H22ClN3O3S is 335.10703 g/mol.
Where can I buy C13H22ClN3O3S?
You can request a quote for C13H22ClN3O3S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C13H22ClN3O3S?
Yes, CoreyChem provides custom synthesis services for C13H22ClN3O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.