![4-[(6-Bromo-1H-1,3-benzodiazol-2-yl)methyl]aniline structure](/static/products/5121/512193-87-2.webp)
4-[(6-Bromo-1H-1,3-benzodiazol-2-yl)methyl]aniline
TL;DR: 4-[(6-Bromo-1H-1,3-benzodiazol-2-yl)methyl]aniline (CAS 512193-87-2) is a chemical compound with molecular formula C14H12BrN3 and molecular weight 301.02 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)methyl]aniline
Also Known As: 4-[(6-Bromo-1H-1,3-benzodiazol-2-yl)methyl]aniline, 4-[(6-bromo-1H-benzimidazol-2-yl)methyl]aniline, 4-[(6-bromo-1H-benzoimidazol-2-yl)methyl]aniline, Benzenamine, 4-[(6-bromo-1H-benzimidazol-2-yl)methyl]-
| Molecular Formula | C14H12BrN3 |
|---|---|
| Molecular Weight | 301.02 g/mol |
| LogP | 3.4984 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.02145 |
| Heavy Atoms | 18 |
| Complexity | 685.8305 |
Chemical Identifiers
| CAS Number | 512193-87-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=NC3=C(N2)C=C(C=C3)Br)N |
Product Overview
4-[(6-Bromo-1H-1,3-benzodiazol-2-yl)methyl]aniline (CAS 512193-87-2), with molecular formula C14H12BrN3 and molecular weight 301.02 g/mol. IUPAC: 4-[(6-bromo-1H-benzimidazol-2-yl)methyl]aniline.
Chemical Property Profile of 4-[(6-Bromo-1H-1,3-benzodiazol-2-yl)methyl]aniline
Property Insights of 4-[(6-Bromo-1H-1,3-benzodiazol-2-yl)methyl]aniline
The XLogP value of 3.4984 indicates that 4-[(6-Bromo-1H-1,3-benzodiazol-2-yl)methyl]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-[(6-Bromo-1H-1,3-benzodiazol-2-yl)methyl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(6-Bromo-1H-1,3-benzodiazol-2-yl)methyl]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-[(6-Bromo-1H-1,3-benzodiazol-2-yl)methyl]aniline?
The CAS number of 4-[(6-Bromo-1H-1,3-benzodiazol-2-yl)methyl]aniline is 512193-87-2.
What is the molecular formula of 4-[(6-Bromo-1H-1,3-benzodiazol-2-yl)methyl]aniline?
The molecular formula of 4-[(6-Bromo-1H-1,3-benzodiazol-2-yl)methyl]aniline is C14H12BrN3.
What is the molecular weight of 4-[(6-Bromo-1H-1,3-benzodiazol-2-yl)methyl]aniline?
The molecular weight of 4-[(6-Bromo-1H-1,3-benzodiazol-2-yl)methyl]aniline is 301.02 g/mol.
Where can I buy 4-[(6-Bromo-1H-1,3-benzodiazol-2-yl)methyl]aniline?
You can request a quote for 4-[(6-Bromo-1H-1,3-benzodiazol-2-yl)methyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(6-Bromo-1H-1,3-benzodiazol-2-yl)methyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-[(6-Bromo-1H-1,3-benzodiazol-2-yl)methyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.