Difluoroketone
TL;DR: Difluoroketone (CAS 134450-34-3) is a chemical compound with molecular formula C31H34F2N2O4 and molecular weight 536.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[(2S)-1-[[(2S)-4,4-difluoro-3-oxo-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Also Known As: Difluoroketone, Carbamic acid, (1-(((3,3-difluoro-2-oxo-5-phenyl-1-(phenylmethyl)pentyl)amino)carbonyl)-2-methylpropyl)-, phenylmethyl ester, (S-(R*,R*))-, N-(N'-Benzyloxycarbonyl-valinyl)-2-amino-4,4-difluoro-1,6-diphenyl-3-hexanone, (2S)-2-[(N-Benzyloxycarbonylvalyl)amino]-4,4-difluoro-1,6-diphenylhexan-3-one, Benzyl [(2S)-1-{[(2S)-4,4-difluoro-3-oxo-1,6-diphenylhexan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate
| Molecular Formula | C31H34F2N2O4 |
|---|---|
| Molecular Weight | 536.25 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 536.24866 |
| Heavy Atoms | 39 |
| Complexity | 773.0 |
Chemical Identifiers
| CAS Number | 134450-34-3 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)C(CCC2=CC=CC=C2)(F)F)NC(=O)OCC3=CC=CC=C3 |
| InChIKey | AOOMDOSCXSIDMV-SVBPBHIXSA-N |
Product Overview
Difluoroketone (CAS 134450-34-3), with molecular formula C31H34F2N2O4 and molecular weight 536.25 g/mol. IUPAC: benzyl N-[(2S)-1-[[(2S)-4,4-difluoro-3-oxo-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate.
Chemical Property Profile of Difluoroketone
Property Insights of Difluoroketone
The XLogP value of 6.9 indicates that Difluoroketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Difluoroketone. Following Lipinski's Rule of Five, Difluoroketone has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Difluoroketone?
The CAS number of Difluoroketone is 134450-34-3.
What is the molecular formula of Difluoroketone?
The molecular formula of Difluoroketone is C31H34F2N2O4.
What is the molecular weight of Difluoroketone?
The molecular weight of Difluoroketone is 536.25 g/mol.
Where can I buy Difluoroketone?
You can request a quote for Difluoroketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Difluoroketone?
Yes, KEHONG BIO provides custom synthesis services for Difluoroketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.