4-(5-bromo-1H-1,3-benzodiazol-2-yl)aniline
TL;DR: 4-(5-bromo-1H-1,3-benzodiazol-2-yl)aniline (CAS 519042-70-7) is a chemical compound with molecular formula C13H10BrN3 and molecular weight 287.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-bromo-1H-benzimidazol-2-yl)aniline
Also Known As: 4-(5-bromo-1H-1,3-benzodiazol-2-yl)aniline, 4-(6-Bromo-1H-benzo[d]imidazol-2-yl)aniline, 4-(6-bromo-1H-benzimidazol-2-yl)aniline, 4-(5-Bromo-1H-benzoimidazol-2-yl)-phenylamine, 4-(6-bromo-1H-1,3-benzodiazol-2-yl)aniline
| Molecular Formula | C13H10BrN3 |
|---|---|
| Molecular Weight | 287.01 g/mol |
| LogP | 3.5746 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 287.0058 |
| Heavy Atoms | 17 |
| Complexity | 670.6974 |
Chemical Identifiers
| CAS Number | 519042-70-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)Br)N |
Product Overview
4-(5-bromo-1H-1,3-benzodiazol-2-yl)aniline (CAS 519042-70-7), with molecular formula C13H10BrN3 and molecular weight 287.01 g/mol. IUPAC: 4-(6-bromo-1H-benzimidazol-2-yl)aniline.
Chemical Property Profile of 4-(5-bromo-1H-1,3-benzodiazol-2-yl)aniline
Property Insights of 4-(5-bromo-1H-1,3-benzodiazol-2-yl)aniline
The XLogP value of 3.5746 indicates that 4-(5-bromo-1H-1,3-benzodiazol-2-yl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.7 Ų, 4-(5-bromo-1H-1,3-benzodiazol-2-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(5-bromo-1H-1,3-benzodiazol-2-yl)aniline has 2 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 4-(5-bromo-1H-1,3-benzodiazol-2-yl)aniline?
The CAS number of 4-(5-bromo-1H-1,3-benzodiazol-2-yl)aniline is 519042-70-7.
What is the molecular formula of 4-(5-bromo-1H-1,3-benzodiazol-2-yl)aniline?
The molecular formula of 4-(5-bromo-1H-1,3-benzodiazol-2-yl)aniline is C13H10BrN3.
What is the molecular weight of 4-(5-bromo-1H-1,3-benzodiazol-2-yl)aniline?
The molecular weight of 4-(5-bromo-1H-1,3-benzodiazol-2-yl)aniline is 287.01 g/mol.
Where can I buy 4-(5-bromo-1H-1,3-benzodiazol-2-yl)aniline?
You can request a quote for 4-(5-bromo-1H-1,3-benzodiazol-2-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-bromo-1H-1,3-benzodiazol-2-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-bromo-1H-1,3-benzodiazol-2-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.