4H-Pyran-4-one, 2-(diethylaminoethylthiomethyl)-5-hydroxy-, hydrochloride
TL;DR: 4H-Pyran-4-one, 2-(diethylaminoethylthiomethyl)-5-hydroxy-, hydrochloride (CAS 63704-56-3) is a chemical compound with molecular formula C12H20ClNO3S and molecular weight 293.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(diethylamino)ethylsulfanylmethyl]-5-hydroxypyran-4-one;hydrochloride
Also Known As: USAF IN-14, 2-(2-Diethylaminoethylthio-methyl)-5-hydroxy-1,4-pyrone hydrochloride, 4H-Pyran-4-one, 2-(diethylaminoethylthiomethyl)-5-hydroxy-, hydrochloride, 1,4-Pyrone, 2-(2-diethylaminoethylthiomethyl)-5-hydroxy-, hydrochloride, 2-({[2-(diethylamino)ethyl]sulfanyl}methyl)-5-hydroxy-4h-pyran-4-one hydrochloride(1:1)
| Molecular Formula | C12H20ClNO3S |
|---|---|
| Molecular Weight | 293.09 g/mol |
| LogP | 2.34 |
| Topological Polar Surface Area | 75.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 293.08524 |
| Heavy Atoms | 18 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 63704-56-3 |
|---|---|
| SMILES | CCN(CC)CCSCC1=CC(=O)C(=CO1)O.Cl |
| InChIKey | PDLXALUJWUUICG-UHFFFAOYSA-N |
Product Overview
4H-Pyran-4-one, 2-(diethylaminoethylthiomethyl)-5-hydroxy-, hydrochloride (CAS 63704-56-3), with molecular formula C12H20ClNO3S and molecular weight 293.09 g/mol. IUPAC: 2-[2-(diethylamino)ethylsulfanylmethyl]-5-hydroxypyran-4-one;hydrochloride.
Chemical Property Profile of 4H-Pyran-4-one, 2-(diethylaminoethylthiomethyl)-5-hydroxy-, hydrochloride
Property Insights of 4H-Pyran-4-one, 2-(diethylaminoethylthiomethyl)-5-hydroxy-, hydrochloride
The XLogP value of 2.34 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-Pyran-4-one, 2-(diethylaminoethylthiomethyl)-5-hydroxy-, hydrochloride. The TPSA of 75.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-Pyran-4-one, 2-(diethylaminoethylthiomethyl)-5-hydroxy-, hydrochloride. Following Lipinski's Rule of Five, 4H-Pyran-4-one, 2-(diethylaminoethylthiomethyl)-5-hydroxy-, hydrochloride has 2 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 4H-Pyran-4-one, 2-(diethylaminoethylthiomethyl)-5-hydroxy-, hydrochloride?
The CAS number of 4H-Pyran-4-one, 2-(diethylaminoethylthiomethyl)-5-hydroxy-, hydrochloride is 63704-56-3.
What is the molecular formula of 4H-Pyran-4-one, 2-(diethylaminoethylthiomethyl)-5-hydroxy-, hydrochloride?
The molecular formula of 4H-Pyran-4-one, 2-(diethylaminoethylthiomethyl)-5-hydroxy-, hydrochloride is C12H20ClNO3S.
What is the molecular weight of 4H-Pyran-4-one, 2-(diethylaminoethylthiomethyl)-5-hydroxy-, hydrochloride?
The molecular weight of 4H-Pyran-4-one, 2-(diethylaminoethylthiomethyl)-5-hydroxy-, hydrochloride is 293.09 g/mol.
Where can I buy 4H-Pyran-4-one, 2-(diethylaminoethylthiomethyl)-5-hydroxy-, hydrochloride?
You can request a quote for 4H-Pyran-4-one, 2-(diethylaminoethylthiomethyl)-5-hydroxy-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-Pyran-4-one, 2-(diethylaminoethylthiomethyl)-5-hydroxy-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4H-Pyran-4-one, 2-(diethylaminoethylthiomethyl)-5-hydroxy-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.