BAS 00216383
TL;DR: BAS 00216383 (CAS 127531-89-9) is a chemical compound with molecular formula C16H18ClN7OS and molecular weight 391.0982 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chlorophenyl)-1-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]-2-imino-5-methylimidazolidin-4-one
Also Known As: BAS 00216383, 3-(4-chlorophenyl)-1-(4-(dimethylamino)-6-(methylthio)-1,3,5-triazin-2-yl)-2-imino-5-methylimidazolidin-4-one, 3-(4-chlorophenyl)-1-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]-2-imino-5-methylimidazolidin-4-one
Technical Specifications
| Molecular Formula | C16H18ClN7OS |
| Molecular Weight | 391.0982 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.0982 Da |
| Heavy Atoms | 26 |
| Complexity | 543.0 |
| SMILES | CC1C(=O)N(C(=N)N1C2=NC(=NC(=N2)SC)N(C)C)C3=CC=C(C=C3)Cl |
| InChIKey | QPFZQLWNDJQZLQ-UHFFFAOYSA-N |
Chemical Property Profile of BAS 00216383
Property Insights of BAS 00216383
The XLogP value of 3.2 indicates that BAS 00216383 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00216383. Following Lipinski's Rule of Five, BAS 00216383 has 1 hydrogen bond donor(s) and 7 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 00216383?
The CAS number of BAS 00216383 is 127531-89-9.
What is the molecular formula of BAS 00216383?
The molecular formula of BAS 00216383 is C16H18ClN7OS.
What is the molecular weight of BAS 00216383?
The molecular weight of BAS 00216383 is 391.0982 g/mol.
Where can I buy BAS 00216383?
You can request a quote for BAS 00216383 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00216383?
Yes, CoreyChem provides custom synthesis services for BAS 00216383 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.