3-bromo-N'-(trifluoroacetyl)benzohydrazide
TL;DR: 3-bromo-N'-(trifluoroacetyl)benzohydrazide (CAS 314283-30-2) is a chemical compound with molecular formula C9H6BrF3N2O2 and molecular weight 309.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N'-(2,2,2-trifluoroacetyl)benzohydrazide
Also Known As: 3-bromo-N'-(trifluoroacetyl)benzohydrazide, 3-bromo-N'-(2,2,2-trifluoroacetyl)benzohydrazide, N-[(3-bromophenyl)carbonylamino]-2,2,2-trifluoroacetamide
| Molecular Formula | C9H6BrF3N2O2 |
|---|---|
| Molecular Weight | 309.96 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 309.95648 |
| Heavy Atoms | 17 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 314283-30-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C(=O)NNC(=O)C(F)(F)F |
| InChIKey | KQQQUEVPEOROPY-UHFFFAOYSA-N |
Product Overview
3-bromo-N'-(trifluoroacetyl)benzohydrazide (CAS 314283-30-2), with molecular formula C9H6BrF3N2O2 and molecular weight 309.96 g/mol. IUPAC: 3-bromo-N'-(2,2,2-trifluoroacetyl)benzohydrazide.
Chemical Property Profile of 3-bromo-N'-(trifluoroacetyl)benzohydrazide
Property Insights of 3-bromo-N'-(trifluoroacetyl)benzohydrazide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-bromo-N'-(trifluoroacetyl)benzohydrazide. With a topological polar surface area (TPSA) of 58.2 Ų, 3-bromo-N'-(trifluoroacetyl)benzohydrazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-N'-(trifluoroacetyl)benzohydrazide 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-N'-(trifluoroacetyl)benzohydrazide?
The CAS number of 3-bromo-N'-(trifluoroacetyl)benzohydrazide is 314283-30-2.
What is the molecular formula of 3-bromo-N'-(trifluoroacetyl)benzohydrazide?
The molecular formula of 3-bromo-N'-(trifluoroacetyl)benzohydrazide is C9H6BrF3N2O2.
What is the molecular weight of 3-bromo-N'-(trifluoroacetyl)benzohydrazide?
The molecular weight of 3-bromo-N'-(trifluoroacetyl)benzohydrazide is 309.96 g/mol.
Where can I buy 3-bromo-N'-(trifluoroacetyl)benzohydrazide?
You can request a quote for 3-bromo-N'-(trifluoroacetyl)benzohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-N'-(trifluoroacetyl)benzohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-N'-(trifluoroacetyl)benzohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.