ChemDiv1_017468
TL;DR: ChemDiv1_017468 (CAS 339156-32-0) is a chemical compound with molecular formula C15H12N6OS3 and molecular weight 388.02 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-(1,3-benzothiazol-2-yl)acetamide
Also Known As: ChemDiv1_017468, 2-{[2-amino-5-cyano-6-(methylthio)-4-pyrimidinyl]thio}-N-1,3-benzothiazol-2-ylacetamide, 2-((2-Amino-5-cyano-6-(methylthio)pyrimidin-4-yl)thio)-N-(benzo[d]thiazol-2-yl)acetamide, 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide, 2-{[2-amino-5-cyano-6-(methylsulfanyl)-4-pyrimidinyl]sulfanyl}-N-(1,3-benzothiazol-2-yl)acetamide
| Molecular Formula | C15H12N6OS3 |
|---|---|
| Molecular Weight | 388.02 g/mol |
| LogP | 2.99288 |
| Topological Polar Surface Area | 117.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.02347 |
| Heavy Atoms | 25 |
| Complexity | 948.0474 |
Chemical Identifiers
| CAS Number | 339156-32-0 |
|---|---|
| SMILES | CSC1=C(C(=NC(=N1)N)SCC(=O)NC2=NC3=CC=CC=C3S2)C#N |
Product Overview
ChemDiv1_017468 (CAS 339156-32-0), with molecular formula C15H12N6OS3 and molecular weight 388.02 g/mol. IUPAC: 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide.
Chemical Property Profile of ChemDiv1_017468
Property Insights of ChemDiv1_017468
The XLogP value of 2.99288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_017468. The TPSA of 117.58 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_017468. Following Lipinski's Rule of Five, ChemDiv1_017468 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_017468?
The CAS number of ChemDiv1_017468 is 339156-32-0.
What is the molecular formula of ChemDiv1_017468?
The molecular formula of ChemDiv1_017468 is C15H12N6OS3.
What is the molecular weight of ChemDiv1_017468?
The molecular weight of ChemDiv1_017468 is 388.02 g/mol.
Where can I buy ChemDiv1_017468?
You can request a quote for ChemDiv1_017468 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017468?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017468 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.