4H-Pyran-2-carboxylic acid, 6-(dimethylaminomethyl)-5-hydroxy-4-oxo-, hydrate
TL;DR: 4H-Pyran-2-carboxylic acid, 6-(dimethylaminomethyl)-5-hydroxy-4-oxo-, hydrate (CAS 1746-65-2) is a chemical compound with molecular formula C9H11NO5 and molecular weight 213.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(dimethylamino)methyl]-5-hydroxy-4-oxopyran-2-carboxylic acid
Also Known As: 6-(Dimethylaminomethyl)comenic acid hydrate, 4H-Pyran-2-carboxylic acid, 6-(dimethylaminomethyl)-5-hydroxy-4-oxo-, hydrate, 6-(dimethylaminomethyl)-5-hydroxy-4-oxopyran-2-carboxylic acid, 6-[(dimethylamino)methyl]-5-hydroxy-4-oxopyran-2-carboxylic acid, 6-[(Dimethylamino)methyl]-5-hydroxy-4-oxo-4H-pyran-2-carboxylic acid
| Molecular Formula | C9H11NO5 |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 0.1052 |
| Topological Polar Surface Area | 90.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.06372 |
| Heavy Atoms | 15 |
| Complexity | 434.6191 |
Chemical Identifiers
| CAS Number | 1746-65-2 |
|---|---|
| SMILES | CN(C)CC1=C(C(=O)C=C(O1)C(=O)O)O |
Product Overview
4H-Pyran-2-carboxylic acid, 6-(dimethylaminomethyl)-5-hydroxy-4-oxo-, hydrate (CAS 1746-65-2), with molecular formula C9H11NO5 and molecular weight 213.06 g/mol. IUPAC: 6-[(dimethylamino)methyl]-5-hydroxy-4-oxopyran-2-carboxylic acid.
Chemical Property Profile of 4H-Pyran-2-carboxylic acid, 6-(dimethylaminomethyl)-5-hydroxy-4-oxo-, hydrate
Property Insights of 4H-Pyran-2-carboxylic acid, 6-(dimethylaminomethyl)-5-hydroxy-4-oxo-, hydrate
The XLogP value of 0.1052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-Pyran-2-carboxylic acid, 6-(dimethylaminomethyl)-5-hydroxy-4-oxo-, hydrate. The TPSA of 90.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-Pyran-2-carboxylic acid, 6-(dimethylaminomethyl)-5-hydroxy-4-oxo-, hydrate. Following Lipinski's Rule of Five, 4H-Pyran-2-carboxylic acid, 6-(dimethylaminomethyl)-5-hydroxy-4-oxo-, hydrate 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-2-carboxylic acid, 6-(dimethylaminomethyl)-5-hydroxy-4-oxo-, hydrate?
The CAS number of 4H-Pyran-2-carboxylic acid, 6-(dimethylaminomethyl)-5-hydroxy-4-oxo-, hydrate is 1746-65-2.
What is the molecular formula of 4H-Pyran-2-carboxylic acid, 6-(dimethylaminomethyl)-5-hydroxy-4-oxo-, hydrate?
The molecular formula of 4H-Pyran-2-carboxylic acid, 6-(dimethylaminomethyl)-5-hydroxy-4-oxo-, hydrate is C9H11NO5.
What is the molecular weight of 4H-Pyran-2-carboxylic acid, 6-(dimethylaminomethyl)-5-hydroxy-4-oxo-, hydrate?
The molecular weight of 4H-Pyran-2-carboxylic acid, 6-(dimethylaminomethyl)-5-hydroxy-4-oxo-, hydrate is 213.06 g/mol.
Where can I buy 4H-Pyran-2-carboxylic acid, 6-(dimethylaminomethyl)-5-hydroxy-4-oxo-, hydrate?
You can request a quote for 4H-Pyran-2-carboxylic acid, 6-(dimethylaminomethyl)-5-hydroxy-4-oxo-, hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-Pyran-2-carboxylic acid, 6-(dimethylaminomethyl)-5-hydroxy-4-oxo-, hydrate?
Yes, KEHONG BIO provides custom synthesis services for 4H-Pyran-2-carboxylic acid, 6-(dimethylaminomethyl)-5-hydroxy-4-oxo-, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.