RefChem:332826
TL;DR: RefChem:332826 (CAS 88797-52-8) is a chemical compound with molecular formula C20H23N3O2S2 and molecular weight 401.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[(2,5-dihydroxyphenyl)methyl]benzimidazol-2-yl]methyl N,N-diethylcarbamodithioate
Also Known As: Carbamodithioic acid, diethyl-, (1-((2,5-dihydroxyphenyl)methyl)-1H-benzimidazol-2-yl)methyl ester, [1-[(2,5-dihydroxyphenyl)methyl]benzimidazol-2-yl]methylN,N-diethylcarbamodithioate, [1-[(2,5-dihydroxyphenyl)methyl]benzimidazol-2-yl]methyl N,N-diethylcarbamodithioate, {1-[(2,5-Dihydroxyphenyl)methyl]-1H-1,3-benzimidazol-2-yl}methyl diethylcarbamodithioate, CARBAMODITHIOIC ACID, DIETHYL-, (1-((2,5-DIHYDROXYPHENYL)METHYL)-1H-BENZIMIDAZOL
| Molecular Formula | C20H23N3O2S2 |
|---|---|
| Molecular Weight | 401.12 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.12317 |
| Heavy Atoms | 27 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 88797-52-8 |
|---|---|
| SMILES | CCN(CC)C(=S)SCC1=NC2=CC=CC=C2N1CC3=C(C=CC(=C3)O)O |
| InChIKey | FWEUUBRULMDQQS-UHFFFAOYSA-N |
Product Overview
RefChem:332826 (CAS 88797-52-8), with molecular formula C20H23N3O2S2 and molecular weight 401.12 g/mol. IUPAC: [1-[(2,5-dihydroxyphenyl)methyl]benzimidazol-2-yl]methyl N,N-diethylcarbamodithioate.
Chemical Property Profile of RefChem:332826
Property Insights of RefChem:332826
The XLogP value of 3.9 indicates that RefChem:332826 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:332826. Following Lipinski's Rule of Five, RefChem:332826 has 2 hydrogen bond donor(s) and 5 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:332826?
The CAS number of RefChem:332826 is 88797-52-8.
What is the molecular formula of RefChem:332826?
The molecular formula of RefChem:332826 is C20H23N3O2S2.
What is the molecular weight of RefChem:332826?
The molecular weight of RefChem:332826 is 401.12 g/mol.
Where can I buy RefChem:332826?
You can request a quote for RefChem:332826 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:332826?
Yes, KEHONG BIO provides custom synthesis services for RefChem:332826 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.