Difluoroketone
TL;DR: Difluoroketone (CAS 134450-37-6) is a chemical compound with molecular formula C30H31F2N3O5 and molecular weight 551.2232 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-[(2S)-4-amino-1-[[(2S)-4,4-difluoro-3-oxo-1,6-diphenylhexan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
Also Known As: Difluoroketone, N-(N'-Benzyloxycarbonyl-asparaginyl)-2-amino-4,4-difluoro-1,6-diphenyl-3-hexanone, Carbamic acid, (3-amino-1-(((3,3-difluoro-2-oxo-5-phenyl-1-(phenylmethyl)pentyl)amino)carbonyl)-3-oxopropyl)-, phenylmethyl ester, (S-(R*,R*))-, Benzyl [(2S)-4-amino-1-{[(2S)-4,4-difluoro-3-oxo-1,6-diphenylhexan-2-yl]amino}-1,4-dioxobutan-2-yl]carbamate, benzyl N-[(1S)-3-amino-1-[[(1S)-1-benzyl-3,3-difluoro-2-oxo-5-phenyl-pentyl]carbamoyl]-3-oxo-propyl]carbamate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C30H31F2N3O5 |
| Molecular Weight | 551.2232 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 128.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 15 |
| Exact Mass | 551.2232 Da |
| Heavy Atoms | 40 |
| Complexity | 837.0 |
| SMILES | C1=CC=C(C=C1)CCC(C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)OCC3=CC=CC=C3)(F)F |
| InChIKey | IKYWDCPXSREOQN-DQEYMECFSA-N |
Chemical Property Profile of Difluoroketone
Property Insights of Difluoroketone
The XLogP value of 4.4 indicates that Difluoroketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Difluoroketone. Following Lipinski's Rule of Five, Difluoroketone has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Difluoroketone?
The CAS number of Difluoroketone is 134450-37-6.
What is the molecular formula of Difluoroketone?
The molecular formula of Difluoroketone is C30H31F2N3O5.
What is the molecular weight of Difluoroketone?
The molecular weight of Difluoroketone is 551.2232 g/mol.
Where can I buy Difluoroketone?
You can request a quote for Difluoroketone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Difluoroketone?
Yes, CoreyChem provides custom synthesis services for Difluoroketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.