RefChem:332828
TL;DR: RefChem:332828 (CAS 88797-51-7) is a chemical compound with molecular formula C24H25N3S2 and molecular weight 419.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl N,N-diethylcarbamodithioate
Also Known As: Carbamodithioic acid, diethyl-, (1-(2-naphthalenylmethyl)-1H-benzimidazol-2-yl)methyl ester, Diethylcarbamodithioic acid (1-(2-naphthalenylmethyl)-1H-benzimidazol-2-yl)methyl ester, [1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl N,N-diethylcarbamodithioate, {1-[(Naphthalen-2-yl)methyl]-1H-1,3-benzimidazol-2-yl}methyl diethylcarbamodithioate, RefChem:332828
| Molecular Formula | C24H25N3S2 |
|---|---|
| Molecular Weight | 419.15 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 78.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.149 |
| Heavy Atoms | 29 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 88797-51-7 |
|---|---|
| SMILES | CCN(CC)C(=S)SCC1=NC2=CC=CC=C2N1CC3=CC4=CC=CC=C4C=C3 |
| InChIKey | TXPUGUBKRVUDRI-UHFFFAOYSA-N |
Product Overview
RefChem:332828 (CAS 88797-51-7), with molecular formula C24H25N3S2 and molecular weight 419.15 g/mol. IUPAC: [1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl N,N-diethylcarbamodithioate.
Chemical Property Profile of RefChem:332828
Property Insights of RefChem:332828
The XLogP value of 5.9 indicates that RefChem:332828 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:332828. Following Lipinski's Rule of Five, RefChem:332828 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:332828?
The CAS number of RefChem:332828 is 88797-51-7.
What is the molecular formula of RefChem:332828?
The molecular formula of RefChem:332828 is C24H25N3S2.
What is the molecular weight of RefChem:332828?
The molecular weight of RefChem:332828 is 419.15 g/mol.
Where can I buy RefChem:332828?
You can request a quote for RefChem:332828 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:332828?
Yes, KEHONG BIO provides custom synthesis services for RefChem:332828 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.