6-Amino-5-(2,2-diethoxyethyl)-2-mercapto-4-pyrimidinol
TL;DR: 6-Amino-5-(2,2-diethoxyethyl)-2-mercapto-4-pyrimidinol (CAS 7400-05-7) is a chemical compound with molecular formula C10H17N3O3S and molecular weight 259.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-(2,2-diethoxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 6-AMINO-5-(2,2-DIETHOXYETHYL)-2-MERCAPTOPYRIMIDIN-4-OL, 6-Amino-5(2,2-diethoxyethyl)-4-hydroxy-2-mercaptopyrimidine, Tofacitinib Impurity 157, NCIOpen2_002353, 6-Amino-5-(2,2-diethoxyethyl)-2-mercapto-4-pyrimidinol
| Molecular Formula | C10H17N3O3S |
|---|---|
| Molecular Weight | 259.10 g/mol |
| LogP | 0.95629 |
| Topological Polar Surface Area | 93.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 259.09906 |
| Heavy Atoms | 17 |
| Complexity | 462.5993 |
Chemical Identifiers
| CAS Number | 7400-05-7 |
|---|---|
| SMILES | CCOC(CC1=C(NC(=S)NC1=O)N)OCC |
Product Overview
6-Amino-5-(2,2-diethoxyethyl)-2-mercapto-4-pyrimidinol (CAS 7400-05-7), with molecular formula C10H17N3O3S and molecular weight 259.10 g/mol. IUPAC: 6-amino-5-(2,2-diethoxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 6-Amino-5-(2,2-diethoxyethyl)-2-mercapto-4-pyrimidinol
Property Insights of 6-Amino-5-(2,2-diethoxyethyl)-2-mercapto-4-pyrimidinol
The XLogP value of 0.95629 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Amino-5-(2,2-diethoxyethyl)-2-mercapto-4-pyrimidinol. The TPSA of 93.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Amino-5-(2,2-diethoxyethyl)-2-mercapto-4-pyrimidinol. Following Lipinski's Rule of Five, 6-Amino-5-(2,2-diethoxyethyl)-2-mercapto-4-pyrimidinol has 3 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 6-Amino-5-(2,2-diethoxyethyl)-2-mercapto-4-pyrimidinol?
The CAS number of 6-Amino-5-(2,2-diethoxyethyl)-2-mercapto-4-pyrimidinol is 7400-05-7.
What is the molecular formula of 6-Amino-5-(2,2-diethoxyethyl)-2-mercapto-4-pyrimidinol?
The molecular formula of 6-Amino-5-(2,2-diethoxyethyl)-2-mercapto-4-pyrimidinol is C10H17N3O3S.
What is the molecular weight of 6-Amino-5-(2,2-diethoxyethyl)-2-mercapto-4-pyrimidinol?
The molecular weight of 6-Amino-5-(2,2-diethoxyethyl)-2-mercapto-4-pyrimidinol is 259.10 g/mol.
Where can I buy 6-Amino-5-(2,2-diethoxyethyl)-2-mercapto-4-pyrimidinol?
You can request a quote for 6-Amino-5-(2,2-diethoxyethyl)-2-mercapto-4-pyrimidinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Amino-5-(2,2-diethoxyethyl)-2-mercapto-4-pyrimidinol?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-5-(2,2-diethoxyethyl)-2-mercapto-4-pyrimidinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.