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N1-di[3,5-di(trifluoromethyl)phenyl]methyl-3-bromobutanamide
TL;DR: N1-di[3,5-di(trifluoromethyl)phenyl]methyl-3-bromobutanamide (CAS 680579-72-0) is a chemical compound with molecular formula C21H14BrF12NO and molecular weight 603.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[bis[3,5-bis(trifluoromethyl)phenyl]methyl]-3-bromobutanamide
Also Known As: N1-di[3,5-di(trifluoromethyl)phenyl]methyl-3-bromobutanamide, 3-Bromo-1H-pyrrolo[3,2-b]pyridine, N-[bis[3,5-bis(trifluoromethyl)phenyl]methyl]-3-bromobutanamide, N-{bis[3,5-bis(trifluoromethyl)phenyl]methyl}-3-bromobutanamide, N-(Bis(3,5-bis(trifluoromethyl)phenyl)methyl)-3-bromobutanamide
| Molecular Formula | C21H14BrF12NO |
|---|---|
| Molecular Weight | 603.01 g/mol |
| LogP | 8.1409 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 603.0067 |
| Heavy Atoms | 36 |
| Complexity | 960.0323 |
Chemical Identifiers
| CAS Number | 680579-72-0 |
|---|---|
| SMILES | CC(CC(=O)NC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Br |
Product Overview
N1-di[3,5-di(trifluoromethyl)phenyl]methyl-3-bromobutanamide (CAS 680579-72-0), with molecular formula C21H14BrF12NO and molecular weight 603.01 g/mol. IUPAC: N-[bis[3,5-bis(trifluoromethyl)phenyl]methyl]-3-bromobutanamide.
Chemical Property Profile of N1-di[3,5-di(trifluoromethyl)phenyl]methyl-3-bromobutanamide
Property Insights of N1-di[3,5-di(trifluoromethyl)phenyl]methyl-3-bromobutanamide
The XLogP value of 8.1409 indicates that N1-di[3,5-di(trifluoromethyl)phenyl]methyl-3-bromobutanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, N1-di[3,5-di(trifluoromethyl)phenyl]methyl-3-bromobutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N1-di[3,5-di(trifluoromethyl)phenyl]methyl-3-bromobutanamide has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N1-di[3,5-di(trifluoromethyl)phenyl]methyl-3-bromobutanamide?
The CAS number of N1-di[3,5-di(trifluoromethyl)phenyl]methyl-3-bromobutanamide is 680579-72-0.
What is the molecular formula of N1-di[3,5-di(trifluoromethyl)phenyl]methyl-3-bromobutanamide?
The molecular formula of N1-di[3,5-di(trifluoromethyl)phenyl]methyl-3-bromobutanamide is C21H14BrF12NO.
What is the molecular weight of N1-di[3,5-di(trifluoromethyl)phenyl]methyl-3-bromobutanamide?
The molecular weight of N1-di[3,5-di(trifluoromethyl)phenyl]methyl-3-bromobutanamide is 603.01 g/mol.
Where can I buy N1-di[3,5-di(trifluoromethyl)phenyl]methyl-3-bromobutanamide?
You can request a quote for N1-di[3,5-di(trifluoromethyl)phenyl]methyl-3-bromobutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1-di[3,5-di(trifluoromethyl)phenyl]methyl-3-bromobutanamide?
Yes, KEHONG BIO provides custom synthesis services for N1-di[3,5-di(trifluoromethyl)phenyl]methyl-3-bromobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.