3-Bromo-4,5-diaminobenzotrifluoride
TL;DR: 3-Bromo-4,5-diaminobenzotrifluoride (CAS 1682-20-8) is a chemical compound with molecular formula C7H6BrF3N2 and molecular weight 253.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-5-(trifluoromethyl)benzene-1,2-diamine
Also Known As: 3-Bromo-4,5-diaminobenzotrifluoride, 3-bromo-5-(trifluoromethyl)benzene-1,2-diamine, Dibucaine hydrochloride, BUTTPARK 82\03-57, 4,5-DIAMINO-3-BROMOBENZOTRIFLUORIDE
| Molecular Formula | C7H6BrF3N2 |
|---|---|
| Molecular Weight | 253.97 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 253.96664 |
| Heavy Atoms | 13 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 1682-20-8 |
|---|---|
| SMILES | C1=C(C=C(C(=C1N)N)Br)C(F)(F)F |
| InChIKey | OVGAPUVMLZWQQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-4,5-diaminobenzotrifluoride (CAS 1682-20-8), with molecular formula C7H6BrF3N2 and molecular weight 253.97 g/mol. IUPAC: 3-bromo-5-(trifluoromethyl)benzene-1,2-diamine.
Chemical Property Profile of 3-Bromo-4,5-diaminobenzotrifluoride
Property Insights of 3-Bromo-4,5-diaminobenzotrifluoride
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-4,5-diaminobenzotrifluoride. With a topological polar surface area (TPSA) of 52.0 Ų, 3-Bromo-4,5-diaminobenzotrifluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4,5-diaminobenzotrifluoride has 2 hydrogen bond donor(s) and 5 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 3-Bromo-4,5-diaminobenzotrifluoride?
The CAS number of 3-Bromo-4,5-diaminobenzotrifluoride is 1682-20-8.
What is the molecular formula of 3-Bromo-4,5-diaminobenzotrifluoride?
The molecular formula of 3-Bromo-4,5-diaminobenzotrifluoride is C7H6BrF3N2.
What is the molecular weight of 3-Bromo-4,5-diaminobenzotrifluoride?
The molecular weight of 3-Bromo-4,5-diaminobenzotrifluoride is 253.97 g/mol.
Where can I buy 3-Bromo-4,5-diaminobenzotrifluoride?
You can request a quote for 3-Bromo-4,5-diaminobenzotrifluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4,5-diaminobenzotrifluoride?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4,5-diaminobenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.