RefChem:332827
TL;DR: RefChem:332827 (CAS 88797-49-3) is a chemical compound with molecular formula C21H24N4OS2 and molecular weight 412.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(benzamidomethyl)benzimidazol-2-yl]methyl N,N-diethylcarbamodithioate
Also Known As: Carbamodithioic acid, diethyl-, (1-((benzoylamino)methyl)-1H-benzimidazol-2-yl)methyl ester, Diethylcarbamodithioic acid (1-((benzoylamino)methyl)-1H-benzimidazol-2-yl)methyl ester, [1-[(Benzoylamino)methyl]benzimidazol-2-yl]methyln,N-diethylcarbamodithioate, [1-(benzamidomethyl)benzimidazol-2-yl]methyl N,N-diethylcarbamodithioate, [1-(Benzamidomethyl)-1H-1,3-benzimidazol-2-yl]methyl diethylcarbamodithioate
| Molecular Formula | C21H24N4OS2 |
|---|---|
| Molecular Weight | 412.14 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.13916 |
| Heavy Atoms | 28 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 88797-49-3 |
|---|---|
| SMILES | CCN(CC)C(=S)SCC1=NC2=CC=CC=C2N1CNC(=O)C3=CC=CC=C3 |
| InChIKey | NCPMCSZWXVTXQT-UHFFFAOYSA-N |
Product Overview
RefChem:332827 (CAS 88797-49-3), with molecular formula C21H24N4OS2 and molecular weight 412.14 g/mol. IUPAC: [1-(benzamidomethyl)benzimidazol-2-yl]methyl N,N-diethylcarbamodithioate.
Chemical Property Profile of RefChem:332827
Property Insights of RefChem:332827
The XLogP value of 4.1 indicates that RefChem:332827 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:332827. Following Lipinski's Rule of Five, RefChem:332827 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
Frequently Asked Questions
What is the CAS number of RefChem:332827?
The CAS number of RefChem:332827 is 88797-49-3.
What is the molecular formula of RefChem:332827?
The molecular formula of RefChem:332827 is C21H24N4OS2.
What is the molecular weight of RefChem:332827?
The molecular weight of RefChem:332827 is 412.14 g/mol.
Where can I buy RefChem:332827?
You can request a quote for RefChem:332827 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:332827?
Yes, KEHONG BIO provides custom synthesis services for RefChem:332827 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.