3-(Benzylamino)-1-phenylpropan-1-one
TL;DR: 3-(Benzylamino)-1-phenylpropan-1-one (CAS 27152-63-2) is a chemical compound with molecular formula C16H17NO and molecular weight 239.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzylamino)-1-phenylpropan-1-one
Also Known As: beta-(Benzylamino)propiophenone, 3-(benzylamino)-1-phenylpropan-1-one, 1-Phenyl-3-(benzylamino)-1-propanone, 3-(N-Benzylamino)-1-phenylpropan-1-on, J1.537.745C
| Molecular Formula | C16H17NO |
|---|---|
| Molecular Weight | 239.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 239.13101 |
| Heavy Atoms | 18 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 27152-63-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNCCC(=O)C2=CC=CC=C2 |
| InChIKey | QXJGVDOFFACGES-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Benzylamino)-1-phenylpropan-1-one (CAS 27152-63-2), with molecular formula C16H17NO and molecular weight 239.13 g/mol. IUPAC: 3-(benzylamino)-1-phenylpropan-1-one.
Chemical Property Profile of 3-(Benzylamino)-1-phenylpropan-1-one
Property Insights of 3-(Benzylamino)-1-phenylpropan-1-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Benzylamino)-1-phenylpropan-1-one. With a topological polar surface area (TPSA) of 29.1 Ų, 3-(Benzylamino)-1-phenylpropan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Benzylamino)-1-phenylpropan-1-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 3-(Benzylamino)-1-phenylpropan-1-one?
The CAS number of 3-(Benzylamino)-1-phenylpropan-1-one is 27152-63-2.
What is the molecular formula of 3-(Benzylamino)-1-phenylpropan-1-one?
The molecular formula of 3-(Benzylamino)-1-phenylpropan-1-one is C16H17NO.
What is the molecular weight of 3-(Benzylamino)-1-phenylpropan-1-one?
The molecular weight of 3-(Benzylamino)-1-phenylpropan-1-one is 239.13 g/mol.
Where can I buy 3-(Benzylamino)-1-phenylpropan-1-one?
You can request a quote for 3-(Benzylamino)-1-phenylpropan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Benzylamino)-1-phenylpropan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzylamino)-1-phenylpropan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.