Cambridge id 5545885
TL;DR: Cambridge id 5545885 (CAS 468714-77-4) is a chemical compound with molecular formula C23H29BrN2O2S and molecular weight 476.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone;hydrobromide
Also Known As: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone hydrobromide, 2-((1H-benzo[d]imidazol-2-yl)thio)-1-(3,5-di-tert-butyl-4-hydroxyphenyl)ethanone hydrobromide, 2-(1H-benzoimidazol-2-ylsulfanyl)-1-(4-hydroxy-3,5-ditert-butyl-phenyl)ethanone Hydrobromide
| Molecular Formula | C23H29BrN2O2S |
|---|---|
| Molecular Weight | 476.11 g/mol |
| LogP | 6.4164 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 476.1133 |
| Heavy Atoms | 29 |
| Complexity | 961.26434 |
Chemical Identifiers
| CAS Number | 468714-77-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CSC2=NC3=CC=CC=C3N2.Br |
Product Overview
Cambridge id 5545885 (CAS 468714-77-4), with molecular formula C23H29BrN2O2S and molecular weight 476.11 g/mol. IUPAC: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone;hydrobromide.
Chemical Property Profile of Cambridge id 5545885
Property Insights of Cambridge id 5545885
The XLogP value of 6.4164 indicates that Cambridge id 5545885 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Cambridge id 5545885. Following Lipinski's Rule of Five, Cambridge id 5545885 has 2 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 Cambridge id 5545885?
The CAS number of Cambridge id 5545885 is 468714-77-4.
What is the molecular formula of Cambridge id 5545885?
The molecular formula of Cambridge id 5545885 is C23H29BrN2O2S.
What is the molecular weight of Cambridge id 5545885?
The molecular weight of Cambridge id 5545885 is 476.11 g/mol.
Where can I buy Cambridge id 5545885?
You can request a quote for Cambridge id 5545885 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cambridge id 5545885?
Yes, KEHONG BIO provides custom synthesis services for Cambridge id 5545885 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.