2-phenethyl-1H-benzimidazole
TL;DR: 2-phenethyl-1H-benzimidazole (CAS 5805-33-4) is a chemical compound with molecular formula C20H25NO4S and molecular weight 375.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 2,7,7-trimethyl-5-oxo-4-thiophen-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: 2-phenethyl-1H-benzimidazole, BAS 01052205, AB00097593-01, 2-methoxyethyl 2,7,7-trimethyl-5-oxo-4-thiophen-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate, 2-METHOXYETHYL 2,7,7-TRIMETHYL-5-OXO-4-(2-THIENYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXYLATE
| Molecular Formula | C20H25NO4S |
|---|---|
| Molecular Weight | 375.15 g/mol |
| LogP | 3.5417 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.15042 |
| Heavy Atoms | 26 |
| Complexity | 773.74164 |
Chemical Identifiers
| CAS Number | 5805-33-4 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CS3)C(=O)OCCOC |
Product Overview
2-phenethyl-1H-benzimidazole (CAS 5805-33-4), with molecular formula C20H25NO4S and molecular weight 375.15 g/mol. IUPAC: 2-methoxyethyl 2,7,7-trimethyl-5-oxo-4-thiophen-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of 2-phenethyl-1H-benzimidazole
Property Insights of 2-phenethyl-1H-benzimidazole
The XLogP value of 3.5417 indicates that 2-phenethyl-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-phenethyl-1H-benzimidazole. Following Lipinski's Rule of Five, 2-phenethyl-1H-benzimidazole has 1 hydrogen bond donor(s) and 6 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 2-phenethyl-1H-benzimidazole?
The CAS number of 2-phenethyl-1H-benzimidazole is 5805-33-4.
What is the molecular formula of 2-phenethyl-1H-benzimidazole?
The molecular formula of 2-phenethyl-1H-benzimidazole is C20H25NO4S.
What is the molecular weight of 2-phenethyl-1H-benzimidazole?
The molecular weight of 2-phenethyl-1H-benzimidazole is 375.15 g/mol.
Where can I buy 2-phenethyl-1H-benzimidazole?
You can request a quote for 2-phenethyl-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-phenethyl-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-phenethyl-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.