A0179/0008078
TL;DR: A0179/0008078 (CAS 330180-81-9) is a chemical compound with molecular formula C12H16N4OS2 and molecular weight 296.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(3,3-dimethyl-2-oxobutyl)sulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile
Also Known As: A0179/0008078, 2-amino-4-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-6-(methylsulfanyl)pyrimidine-5-carbonitrile, 2-amino-4-((3,3-dimethyl-2-oxobutyl)thio)-6-(methylthio)pyrimidine-5-carbonitrile, 2-Amino-4-(3,3-dimethyl-2-oxo-butylsulfanyl)-6-methylsulfanyl-pyrimidine-5-carbonitrile, 2-amino-4-(3,3-dimethyl-2-oxobutyl)sulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile
| Molecular Formula | C12H16N4OS2 |
|---|---|
| Molecular Weight | 296.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.07657 |
| Heavy Atoms | 19 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 330180-81-9 |
|---|---|
| SMILES | CC(C)(C)C(=O)CSC1=NC(=NC(=C1C#N)SC)N |
| InChIKey | WBZSEWDRNHRKSM-UHFFFAOYSA-N |
Product Overview
A0179/0008078 (CAS 330180-81-9), with molecular formula C12H16N4OS2 and molecular weight 296.08 g/mol. IUPAC: 2-amino-4-(3,3-dimethyl-2-oxobutyl)sulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile.
Chemical Property Profile of A0179/0008078
Property Insights of A0179/0008078
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A0179/0008078. The TPSA of 143.0 Ų indicates high polarity, suggesting A0179/0008078 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A0179/0008078 has 1 hydrogen bond donor(s) and 7 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 A0179/0008078?
The CAS number of A0179/0008078 is 330180-81-9.
What is the molecular formula of A0179/0008078?
The molecular formula of A0179/0008078 is C12H16N4OS2.
What is the molecular weight of A0179/0008078?
The molecular weight of A0179/0008078 is 296.08 g/mol.
Where can I buy A0179/0008078?
You can request a quote for A0179/0008078 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0179/0008078?
Yes, KEHONG BIO provides custom synthesis services for A0179/0008078 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.