4S-4-Dibenzylamino-3-oxo-5-phenyl-pentanonitrile
TL;DR: 4S-4-Dibenzylamino-3-oxo-5-phenyl-pentanonitrile (CAS 156732-12-6) is a chemical compound with molecular formula C25H24N2O and molecular weight 368.18887 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4S)-4-(dibenzylamino)-3-oxo-5-phenylpentanenitrile
Also Known As: 4S-4-Dibenzylamino-3-oxo-5-phenyl-pentanonitrile, 4S-4-Dibenzylamino-3-oxo-5-phenylpentanonitrile, (4S)-4-(DIBENZYLAMINO)-3-OXO-5-PHENYLPENTANENITRILE, (S)-4-(Dibenzylamino)-3-oxo-5-phenylpentanenitrile, 4-S-N,N-Dibenzylamino-3-oxo-5-phenyl-pentanonitrile
Technical Specifications
| Molecular Formula | C25H24N2O |
| Molecular Weight | 368.18887 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 368.18887 Da |
| Heavy Atoms | 28 |
| Complexity | 484.0 |
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)CC#N)N(CC2=CC=CC=C2)CC3=CC=CC=C3 |
| InChIKey | MYTIELGBBUTMMA-DEOSSOPVSA-N |
Chemical Property Profile of 4S-4-Dibenzylamino-3-oxo-5-phenyl-pentanonitrile
Property Insights of 4S-4-Dibenzylamino-3-oxo-5-phenyl-pentanonitrile
The XLogP value of 4.9 indicates that 4S-4-Dibenzylamino-3-oxo-5-phenyl-pentanonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, 4S-4-Dibenzylamino-3-oxo-5-phenyl-pentanonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4S-4-Dibenzylamino-3-oxo-5-phenyl-pentanonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4S-4-Dibenzylamino-3-oxo-5-phenyl-pentanonitrile?
The CAS number of 4S-4-Dibenzylamino-3-oxo-5-phenyl-pentanonitrile is 156732-12-6.
What is the molecular formula of 4S-4-Dibenzylamino-3-oxo-5-phenyl-pentanonitrile?
The molecular formula of 4S-4-Dibenzylamino-3-oxo-5-phenyl-pentanonitrile is C25H24N2O.
What is the molecular weight of 4S-4-Dibenzylamino-3-oxo-5-phenyl-pentanonitrile?
The molecular weight of 4S-4-Dibenzylamino-3-oxo-5-phenyl-pentanonitrile is 368.18887 g/mol.
Where can I buy 4S-4-Dibenzylamino-3-oxo-5-phenyl-pentanonitrile?
You can request a quote for 4S-4-Dibenzylamino-3-oxo-5-phenyl-pentanonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4S-4-Dibenzylamino-3-oxo-5-phenyl-pentanonitrile?
Yes, CoreyChem provides custom synthesis services for 4S-4-Dibenzylamino-3-oxo-5-phenyl-pentanonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.