ChemDiv1_017600
TL;DR: ChemDiv1_017600 (CAS 339156-78-4) is a chemical compound with molecular formula C12H13N7OS3 and molecular weight 367.03 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-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
Also Known As: ChemDiv1_017600, A0184/0008196, 2-((2-Amino-5-cyano-6-(methylthio)pyrimidin-4-yl)thio)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide, 2-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide, 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
| Molecular Formula | C12H13N7OS3 |
|---|---|
| Molecular Weight | 367.03 g/mol |
| LogP | 1.79708 |
| Topological Polar Surface Area | 130.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.03436 |
| Heavy Atoms | 23 |
| Complexity | 755.59796 |
Chemical Identifiers
| CAS Number | 339156-78-4 |
|---|---|
| SMILES | CCC1=NN=C(S1)NC(=O)CSC2=NC(=NC(=C2C#N)SC)N |
Product Overview
ChemDiv1_017600 (CAS 339156-78-4), with molecular formula C12H13N7OS3 and molecular weight 367.03 g/mol. IUPAC: 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
Chemical Property Profile of ChemDiv1_017600
Property Insights of ChemDiv1_017600
The XLogP value of 1.79708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_017600. The TPSA of 130.47 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_017600. Following Lipinski's Rule of Five, ChemDiv1_017600 has 2 hydrogen bond donor(s) and 10 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_017600?
The CAS number of ChemDiv1_017600 is 339156-78-4.
What is the molecular formula of ChemDiv1_017600?
The molecular formula of ChemDiv1_017600 is C12H13N7OS3.
What is the molecular weight of ChemDiv1_017600?
The molecular weight of ChemDiv1_017600 is 367.03 g/mol.
Where can I buy ChemDiv1_017600?
You can request a quote for ChemDiv1_017600 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017600?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017600 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.