ChemDiv1_017601
TL;DR: ChemDiv1_017601 (CAS 339156-81-9) is a chemical compound with molecular formula C12H12N6OS3 and molecular weight 352.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
Also Known As: ChemDiv1_017601, A0184/0008200, 2-((2-amino-5-cyano-6-(methylthio)pyrimidin-4-yl)thio)-N-(4-methylthiazol-2-yl)acetamide, 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide, 2-(2-amino-5-cyano-6-methylthiopyrimidin-4-ylthio)-N-(4-methyl(1,3-thiazol-2-y l))acetamide
| Molecular Formula | C12H12N6OS3 |
|---|---|
| Molecular Weight | 352.02 g/mol |
| LogP | 2.1481 |
| Topological Polar Surface Area | 117.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.02347 |
| Heavy Atoms | 22 |
| Complexity | 738.9482 |
Chemical Identifiers
| CAS Number | 339156-81-9 |
|---|---|
| SMILES | CC1=CSC(=N1)NC(=O)CSC2=NC(=NC(=C2C#N)SC)N |
Product Overview
ChemDiv1_017601 (CAS 339156-81-9), with molecular formula C12H12N6OS3 and molecular weight 352.02 g/mol. IUPAC: 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of ChemDiv1_017601
Property Insights of ChemDiv1_017601
The XLogP value of 2.1481 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_017601. The TPSA of 117.58 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_017601. Following Lipinski's Rule of Five, ChemDiv1_017601 has 2 hydrogen bond donor(s) and 9 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 ChemDiv1_017601?
The CAS number of ChemDiv1_017601 is 339156-81-9.
What is the molecular formula of ChemDiv1_017601?
The molecular formula of ChemDiv1_017601 is C12H12N6OS3.
What is the molecular weight of ChemDiv1_017601?
The molecular weight of ChemDiv1_017601 is 352.02 g/mol.
Where can I buy ChemDiv1_017601?
You can request a quote for ChemDiv1_017601 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017601?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017601 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.