5-Benzyloxy-2-thiocyanatomethyl-4-pyranone
TL;DR: 5-Benzyloxy-2-thiocyanatomethyl-4-pyranone (CAS 11031-11-1) is a chemical compound with molecular formula C14H11NO3S and molecular weight 273.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-oxo-5-phenylmethoxypyran-2-yl)methyl thiocyanate
Also Known As: Zeomycin, Zeocin, 5-Bz-2-Scnm-4-pyranone, 2-(Thiocyanatomethyl)-5-(benzyloxy)-4H-pyran-4-one, 5-Benzyloxy-2-thiocyanatomethyl-4-pyranone
| Molecular Formula | C14H11NO3S |
|---|---|
| Molecular Weight | 273.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 84.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.04596 |
| Heavy Atoms | 19 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 11031-11-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=COC(=CC2=O)CSC#N |
| InChIKey | DIHVCPXPMHSLOX-UHFFFAOYSA-N |
Product Overview
5-Benzyloxy-2-thiocyanatomethyl-4-pyranone (CAS 11031-11-1), with molecular formula C14H11NO3S and molecular weight 273.05 g/mol. IUPAC: (4-oxo-5-phenylmethoxypyran-2-yl)methyl thiocyanate.
Chemical Property Profile of 5-Benzyloxy-2-thiocyanatomethyl-4-pyranone
Property Insights of 5-Benzyloxy-2-thiocyanatomethyl-4-pyranone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzyloxy-2-thiocyanatomethyl-4-pyranone. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzyloxy-2-thiocyanatomethyl-4-pyranone. Following Lipinski's Rule of Five, 5-Benzyloxy-2-thiocyanatomethyl-4-pyranone has 0 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 5-Benzyloxy-2-thiocyanatomethyl-4-pyranone?
The CAS number of 5-Benzyloxy-2-thiocyanatomethyl-4-pyranone is 11031-11-1.
What is the molecular formula of 5-Benzyloxy-2-thiocyanatomethyl-4-pyranone?
The molecular formula of 5-Benzyloxy-2-thiocyanatomethyl-4-pyranone is C14H11NO3S.
What is the molecular weight of 5-Benzyloxy-2-thiocyanatomethyl-4-pyranone?
The molecular weight of 5-Benzyloxy-2-thiocyanatomethyl-4-pyranone is 273.05 g/mol.
Where can I buy 5-Benzyloxy-2-thiocyanatomethyl-4-pyranone?
You can request a quote for 5-Benzyloxy-2-thiocyanatomethyl-4-pyranone 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-thiocyanatomethyl-4-pyranone?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzyloxy-2-thiocyanatomethyl-4-pyranone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.