C20H21N7O2S
TL;DR: C20H21N7O2S (CAS 38911-97-6) is a chemical compound with molecular formula C20H21N7OS and molecular weight 407.15283 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
Also Known As: [[5-[2- ethyl]-4- -4H-1,2,4-triazol-3-yl]thio]aceticacidhydrazide|[[5-[2-(1H-Benzimidazol-2-yl)ethyl]-4-(p-tolyl)-4H-1,2,4-triazol-3-yl]thio]acetic acid hydrazide|2-({5-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide|2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide|Acetic acid, ((5-(2-(1H-benzimidazol-2-yl)ethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-, hydrazide
Technical Specifications
| Molecular Formula | C20H21N7OS |
| Molecular Weight | 407.15283 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 140.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 407.15283 Da |
| Heavy Atoms | 29 |
| Complexity | 545.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN)CCC3=NC4=CC=CC=C4N3 |
| InChIKey | QGBXAWVZSBUXFD-UHFFFAOYSA-N |
Chemical Property Profile of C20H21N7O2S
Property Insights of C20H21N7O2S
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C20H21N7O2S. The TPSA of 140.0 Ų indicates high polarity, suggesting C20H21N7O2S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C20H21N7O2S has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C20H21N7O2S?
The CAS number of C20H21N7O2S is 38911-97-6.
What is the molecular formula of C20H21N7O2S?
The molecular formula of C20H21N7O2S is C20H21N7OS.
What is the molecular weight of C20H21N7O2S?
The molecular weight of C20H21N7O2S is 407.15283 g/mol.
Where can I buy C20H21N7O2S?
You can request a quote for C20H21N7O2S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C20H21N7O2S?
Yes, CoreyChem provides custom synthesis services for C20H21N7O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.