BAS 00662572
TL;DR: BAS 00662572 (CAS 1396964-08-1) is a chemical compound with molecular formula C9H14N4O3S and molecular weight 258.07867 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]propanoate
Also Known As: BAS 00662572, BIM-0029468.P001, AE-641/11289274, isopropyl 2-[(5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanoate, propan-2-yl N-(5-hydroxy-3-sulfanyl-1,2,4-triazin-6-yl)alaninate
Technical Specifications
| Molecular Formula | C9H14N4O3S |
| Molecular Weight | 258.07867 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.07867 Da |
| Heavy Atoms | 17 |
| Complexity | 380.0 |
| SMILES | CC(C)OC(=O)C(C)NC1=NNC(=S)NC1=O |
| InChIKey | JFNNXTZEHRQZCT-UHFFFAOYSA-N |
Chemical Property Profile of BAS 00662572
Property Insights of BAS 00662572
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00662572. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00662572. Following Lipinski's Rule of Five, BAS 00662572 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
What is the CAS number of BAS 00662572?
The CAS number of BAS 00662572 is 1396964-08-1.
What is the molecular formula of BAS 00662572?
The molecular formula of BAS 00662572 is C9H14N4O3S.
What is the molecular weight of BAS 00662572?
The molecular weight of BAS 00662572 is 258.07867 g/mol.
Where can I buy BAS 00662572?
You can request a quote for BAS 00662572 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00662572?
Yes, CoreyChem provides custom synthesis services for BAS 00662572 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.