RefChem:316015
TL;DR: RefChem:316015 (CAS 38911-96-5) 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-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
Also Known As: Acetic acid, ((5-(2-(1H-benzimidazol-2-yl)ethyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)-, hydrazide, 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide, [[5-[2-(1H-Benzimidazol-2-yl)ethyl]-4-(m-tolyl)-4H-1,2,4-triazol-3-yl]thio]acetic acid hydrazide, 2-({5-[2-(1H-1,3-Benzimidazol-2-yl)ethyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide, 2-({5-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide
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 | 553.0 |
| SMILES | CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NN)CCC3=NC4=CC=CC=C4N3 |
| InChIKey | CRLSRNPNZOHWMG-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:316015
Property Insights of RefChem:316015
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:316015. The TPSA of 140.0 Ų indicates high polarity, suggesting RefChem:316015 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:316015 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 RefChem:316015?
The CAS number of RefChem:316015 is 38911-96-5.
What is the molecular formula of RefChem:316015?
The molecular formula of RefChem:316015 is C20H21N7OS.
What is the molecular weight of RefChem:316015?
The molecular weight of RefChem:316015 is 407.15283 g/mol.
Where can I buy RefChem:316015?
You can request a quote for RefChem:316015 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:316015?
Yes, CoreyChem provides custom synthesis services for RefChem:316015 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.