BAS 13558629
TL;DR: BAS 13558629 (CAS 878440-46-1) is a chemical compound with molecular formula C18H22ClN5O2S and molecular weight 407.1183 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxamide
Also Known As: BAS 13558629, 1-(((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl)acetyl)-4-piperidinecarboxamide, 1-{2-[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-ylthio]acetyl}piperidine-4-ca rboxamide, 1-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxamide, 1-(2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)piperidine-4-carboxamide
Technical Specifications
| Molecular Formula | C18H22ClN5O2S |
| Molecular Weight | 407.1183 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.1183 Da |
| Heavy Atoms | 27 |
| Complexity | 524.0 |
| SMILES | CCN1C(=NN=C1SCC(=O)N2CCC(CC2)C(=O)N)C3=CC=C(C=C3)Cl |
| InChIKey | VBPINQBRTHQQAA-UHFFFAOYSA-N |
Chemical Property Profile of BAS 13558629
Property Insights of BAS 13558629
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13558629. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13558629. Following Lipinski's Rule of Five, BAS 13558629 has 1 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 13558629?
The CAS number of BAS 13558629 is 878440-46-1.
What is the molecular formula of BAS 13558629?
The molecular formula of BAS 13558629 is C18H22ClN5O2S.
What is the molecular weight of BAS 13558629?
The molecular weight of BAS 13558629 is 407.1183 g/mol.
Where can I buy BAS 13558629?
You can request a quote for BAS 13558629 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 13558629?
Yes, CoreyChem provides custom synthesis services for BAS 13558629 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.