C17H16BrCl2N3O
TL;DR: C17H16BrCl2N3O (CAS 460314-72-1) is a chemical compound with molecular formula C17H16BrCl2N3O and molecular weight 426.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dichlorophenyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanone;hydrobromide
Also Known As: 1-(3,4-dichlorophenyl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanone hydrobromide, 1-(3,4-dichlorophenyl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)ethanone, 1-(3,4-dichlorophenyl)-2-(3-ethyl-2-imino-benzoimidazol-1-yl)ethanone Hydrobromide, 1-(3,4-dichlorophenyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanone hydrobromide
| Molecular Formula | C17H16BrCl2N3O |
|---|---|
| Molecular Weight | 426.99 g/mol |
| LogP | 4.70977 |
| Topological Polar Surface Area | 50.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.98538 |
| Heavy Atoms | 24 |
| Complexity | 962.1143 |
Chemical Identifiers
| CAS Number | 460314-72-1 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC(=C(C=C3)Cl)Cl.Br |
Product Overview
C17H16BrCl2N3O (CAS 460314-72-1), with molecular formula C17H16BrCl2N3O and molecular weight 426.99 g/mol. IUPAC: 1-(3,4-dichlorophenyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanone;hydrobromide.
Chemical Property Profile of C17H16BrCl2N3O
Property Insights of C17H16BrCl2N3O
The XLogP value of 4.70977 indicates that C17H16BrCl2N3O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.78 Ų, C17H16BrCl2N3O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C17H16BrCl2N3O has 1 hydrogen bond donor(s) and 2 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 C17H16BrCl2N3O?
The CAS number of C17H16BrCl2N3O is 460314-72-1.
What is the molecular formula of C17H16BrCl2N3O?
The molecular formula of C17H16BrCl2N3O is C17H16BrCl2N3O.
What is the molecular weight of C17H16BrCl2N3O?
The molecular weight of C17H16BrCl2N3O is 426.99 g/mol.
Where can I buy C17H16BrCl2N3O?
You can request a quote for C17H16BrCl2N3O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H16BrCl2N3O?
Yes, KEHONG BIO provides custom synthesis services for C17H16BrCl2N3O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.