4-(Nonafluorobutyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one
TL;DR: 4-(Nonafluorobutyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one (CAS 96146-12-2) is a chemical compound with molecular formula C13H7F9N2O and molecular weight 378.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dihydro-1,5-benzodiazepin-2-one
Also Known As: 4-(nonafluorobutyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one, 4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dihydro-1,5-benzodiazepin-2-one, RefChem:289242
| Molecular Formula | C13H7F9N2O |
|---|---|
| Molecular Weight | 378.04 g/mol |
| LogP | 4.5695 |
| Topological Polar Surface Area | 41.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.04147 |
| Heavy Atoms | 25 |
| Complexity | 724.455 |
Chemical Identifiers
| CAS Number | 96146-12-2 |
|---|---|
| SMILES | C1C(=NC2=CC=CC=C2NC1=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F |
Product Overview
4-(Nonafluorobutyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one (CAS 96146-12-2), with molecular formula C13H7F9N2O and molecular weight 378.04 g/mol. IUPAC: 4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dihydro-1,5-benzodiazepin-2-one.
Chemical Property Profile of 4-(Nonafluorobutyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one
Property Insights of 4-(Nonafluorobutyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one
The XLogP value of 4.5695 indicates that 4-(Nonafluorobutyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.46 Ų, 4-(Nonafluorobutyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Nonafluorobutyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one has 1 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-(Nonafluorobutyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one?
The CAS number of 4-(Nonafluorobutyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one is 96146-12-2.
What is the molecular formula of 4-(Nonafluorobutyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one?
The molecular formula of 4-(Nonafluorobutyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one is C13H7F9N2O.
What is the molecular weight of 4-(Nonafluorobutyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one?
The molecular weight of 4-(Nonafluorobutyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one is 378.04 g/mol.
Where can I buy 4-(Nonafluorobutyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one?
You can request a quote for 4-(Nonafluorobutyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Nonafluorobutyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(Nonafluorobutyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.