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Phenyl 2-(benzylthio)-1H-benzo[d]imidazole-1-carboxylate
TL;DR: Phenyl 2-(benzylthio)-1H-benzo[d]imidazole-1-carboxylate (CAS 1189729-40-5) is a chemical compound with molecular formula C21H16N2O2S and molecular weight 360.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 2-benzylsulfanylbenzimidazole-1-carboxylate
Also Known As: Losartan-d3 Carboxylic Acid, Phenyl 2-(benzylthio)-1H-benzo[d]imidazole-1-carboxylate, AI-067/31573005, phenyl 2-benzylsulfanylbenzimidazole-1-carboxylate, phenyl 2-(benzylsulfanyl)-1H-benzimidazole-1-carboxylate
| Molecular Formula | C21H16N2O2S |
|---|---|
| Molecular Weight | 360.09 g/mol |
| LogP | 5.3757 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.09326 |
| Heavy Atoms | 26 |
| Complexity | 1029.7717 |
Chemical Identifiers
| CAS Number | 1189729-40-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2C(=O)OC4=CC=CC=C4 |
Product Overview
Phenyl 2-(benzylthio)-1H-benzo[d]imidazole-1-carboxylate (CAS 1189729-40-5), with molecular formula C21H16N2O2S and molecular weight 360.09 g/mol. IUPAC: phenyl 2-benzylsulfanylbenzimidazole-1-carboxylate.
Chemical Property Profile of Phenyl 2-(benzylthio)-1H-benzo[d]imidazole-1-carboxylate
Property Insights of Phenyl 2-(benzylthio)-1H-benzo[d]imidazole-1-carboxylate
The XLogP value of 5.3757 indicates that Phenyl 2-(benzylthio)-1H-benzo[d]imidazole-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, Phenyl 2-(benzylthio)-1H-benzo[d]imidazole-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 2-(benzylthio)-1H-benzo[d]imidazole-1-carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenyl 2-(benzylthio)-1H-benzo[d]imidazole-1-carboxylate?
The CAS number of Phenyl 2-(benzylthio)-1H-benzo[d]imidazole-1-carboxylate is 1189729-40-5.
What is the molecular formula of Phenyl 2-(benzylthio)-1H-benzo[d]imidazole-1-carboxylate?
The molecular formula of Phenyl 2-(benzylthio)-1H-benzo[d]imidazole-1-carboxylate is C21H16N2O2S.
What is the molecular weight of Phenyl 2-(benzylthio)-1H-benzo[d]imidazole-1-carboxylate?
The molecular weight of Phenyl 2-(benzylthio)-1H-benzo[d]imidazole-1-carboxylate is 360.09 g/mol.
Where can I buy Phenyl 2-(benzylthio)-1H-benzo[d]imidazole-1-carboxylate?
You can request a quote for Phenyl 2-(benzylthio)-1H-benzo[d]imidazole-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 2-(benzylthio)-1H-benzo[d]imidazole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 2-(benzylthio)-1H-benzo[d]imidazole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.