BAS 00316547
TL;DR: BAS 00316547 (CAS 1630031-21-8) is a chemical compound with molecular formula C17H17N5S and molecular weight 323.12045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: BAS 00316547, J1.482.207K, 4-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-5-phenyl-4H-1,2,4-triazole-3-thiol, AA-504/34235044, 4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
Technical Specifications
| Molecular Formula | C17H17N5S |
| Molecular Weight | 323.12045 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 75.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.12045 Da |
| Heavy Atoms | 23 |
| Complexity | 473.0 |
| SMILES | CN(C)C1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3 |
| InChIKey | QTSVQZUWSPRAQN-LDADJPATSA-N |
Chemical Property Profile of BAS 00316547
Property Insights of BAS 00316547
The XLogP value of 3.4 indicates that BAS 00316547 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00316547. Following Lipinski's Rule of Five, BAS 00316547 has 1 hydrogen bond donor(s) and 4 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 00316547?
The CAS number of BAS 00316547 is 1630031-21-8.
What is the molecular formula of BAS 00316547?
The molecular formula of BAS 00316547 is C17H17N5S.
What is the molecular weight of BAS 00316547?
The molecular weight of BAS 00316547 is 323.12045 g/mol.
Where can I buy BAS 00316547?
You can request a quote for BAS 00316547 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00316547?
Yes, CoreyChem provides custom synthesis services for BAS 00316547 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.