5-(benzyloxy)-2-(chloromethyl)-4H-pyran-4-one
TL;DR: 5-(benzyloxy)-2-(chloromethyl)-4H-pyran-4-one (CAS 89539-54-8) is a chemical compound with molecular formula C13H11ClO3 and molecular weight 250.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-5-phenylmethoxypyran-4-one
Also Known As: 5-(benzyloxy)-2-(chloromethyl)-4H-pyran-4-one, ghl.PD_Mitscher_leg0.183, 2-(chloromethyl)-5-phenylmethoxypyran-4-one, 4H-Pyran-4-one, 2-(chloromethyl)-5-(phenylmethoxy)-, 5-benzyloxy-2-(chloromethyl)pyran-4-one
| Molecular Formula | C13H11ClO3 |
|---|---|
| Molecular Weight | 250.04 g/mol |
| LogP | 2.9576 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.03967 |
| Heavy Atoms | 17 |
| Complexity | 533.8609 |
Chemical Identifiers
| CAS Number | 89539-54-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=COC(=CC2=O)CCl |
Product Overview
5-(benzyloxy)-2-(chloromethyl)-4H-pyran-4-one (CAS 89539-54-8), with molecular formula C13H11ClO3 and molecular weight 250.04 g/mol. IUPAC: 2-(chloromethyl)-5-phenylmethoxypyran-4-one.
Chemical Property Profile of 5-(benzyloxy)-2-(chloromethyl)-4H-pyran-4-one
Property Insights of 5-(benzyloxy)-2-(chloromethyl)-4H-pyran-4-one
The XLogP value of 2.9576 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(benzyloxy)-2-(chloromethyl)-4H-pyran-4-one. With a topological polar surface area (TPSA) of 39.44 Ų, 5-(benzyloxy)-2-(chloromethyl)-4H-pyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(benzyloxy)-2-(chloromethyl)-4H-pyran-4-one 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
Frequently Asked Questions
What is the CAS number of 5-(benzyloxy)-2-(chloromethyl)-4H-pyran-4-one?
The CAS number of 5-(benzyloxy)-2-(chloromethyl)-4H-pyran-4-one is 89539-54-8.
What is the molecular formula of 5-(benzyloxy)-2-(chloromethyl)-4H-pyran-4-one?
The molecular formula of 5-(benzyloxy)-2-(chloromethyl)-4H-pyran-4-one is C13H11ClO3.
What is the molecular weight of 5-(benzyloxy)-2-(chloromethyl)-4H-pyran-4-one?
The molecular weight of 5-(benzyloxy)-2-(chloromethyl)-4H-pyran-4-one is 250.04 g/mol.
Where can I buy 5-(benzyloxy)-2-(chloromethyl)-4H-pyran-4-one?
You can request a quote for 5-(benzyloxy)-2-(chloromethyl)-4H-pyran-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(benzyloxy)-2-(chloromethyl)-4H-pyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(benzyloxy)-2-(chloromethyl)-4H-pyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.