RefChem:811864
TL;DR: RefChem:811864 (CAS 124635-46-7) is a chemical compound with molecular formula C14H16N6O4S2 and molecular weight 396.06744 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl N-[[6-(methoxycarbonylcarbamothioylamino)-2-methyl-1H-benzimidazol-5-yl]carbamothioyl]carbamate
Also Known As: Methyl {[5-({[(methoxycarbonyl)amino]carbothioyl}amino)-2-methyl-1H-benzimidazol-6-yl]amino}carbothioylcarbamate, 663-752-4, Methyl ((5-((((methoxycarbonyl)amino)carbothioyl)amino)-2-methyl-1H-benzimidazol-6-YL)amino)carbothioylcarbamate, methyl N-[[6-(methoxycarbonylcarbamothioylamino)-2-methyl-1H-benzimidazol-5-yl]carbamothioyl]carbamate
Technical Specifications
| Molecular Formula | C14H16N6O4S2 |
| Molecular Weight | 396.06744 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 194.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.06744 Da |
| Heavy Atoms | 26 |
| Complexity | 578.0 |
| SMILES | CC1=NC2=CC(=C(C=C2N1)NC(=S)NC(=O)OC)NC(=S)NC(=O)OC |
| InChIKey | KVODVAWXWLSOPO-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:811864
Property Insights of RefChem:811864
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:811864. The TPSA of 194.0 Ų indicates high polarity, suggesting RefChem:811864 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:811864 has 5 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 RefChem:811864?
The CAS number of RefChem:811864 is 124635-46-7.
What is the molecular formula of RefChem:811864?
The molecular formula of RefChem:811864 is C14H16N6O4S2.
What is the molecular weight of RefChem:811864?
The molecular weight of RefChem:811864 is 396.06744 g/mol.
Where can I buy RefChem:811864?
You can request a quote for RefChem:811864 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:811864?
Yes, CoreyChem provides custom synthesis services for RefChem:811864 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.