benzyl 6-methoxy-2-naphthyl ketone
TL;DR: benzyl 6-methoxy-2-naphthyl ketone (CAS 53628-26-5) is a chemical compound with molecular formula C16H18N2O4S and molecular weight 334.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (2S,5R,6R)-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Also Known As: benzyl 6-methoxy-2-naphthyl ketone, benzyl (2S,5R,6R)-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, benzyl (2S,5R,6R)-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-az, benzyl(2s,5r,6r)-6-(formylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
| Molecular Formula | C16H18N2O4S |
|---|---|
| Molecular Weight | 334.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.09872 |
| Heavy Atoms | 23 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 53628-26-5 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC=O)C(=O)OCC3=CC=CC=C3)C |
| InChIKey | CSRPXBJVSNLVMN-MBNYWOFBSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
benzyl 6-methoxy-2-naphthyl ketone (CAS 53628-26-5), with molecular formula C16H18N2O4S and molecular weight 334.10 g/mol. IUPAC: benzyl (2S,5R,6R)-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.
Chemical Property Profile of benzyl 6-methoxy-2-naphthyl ketone
Property Insights of benzyl 6-methoxy-2-naphthyl ketone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl 6-methoxy-2-naphthyl ketone. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl 6-methoxy-2-naphthyl ketone. Following Lipinski's Rule of Five, benzyl 6-methoxy-2-naphthyl ketone has 1 hydrogen bond donor(s) and 5 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 benzyl 6-methoxy-2-naphthyl ketone?
The CAS number of benzyl 6-methoxy-2-naphthyl ketone is 53628-26-5.
What is the molecular formula of benzyl 6-methoxy-2-naphthyl ketone?
The molecular formula of benzyl 6-methoxy-2-naphthyl ketone is C16H18N2O4S.
What is the molecular weight of benzyl 6-methoxy-2-naphthyl ketone?
The molecular weight of benzyl 6-methoxy-2-naphthyl ketone is 334.10 g/mol.
Where can I buy benzyl 6-methoxy-2-naphthyl ketone?
You can request a quote for benzyl 6-methoxy-2-naphthyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl 6-methoxy-2-naphthyl ketone?
Yes, KEHONG BIO provides custom synthesis services for benzyl 6-methoxy-2-naphthyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.