4H-Pyran-2-carboxylic acid, 5-hydroxy-6-((isopropylamino)methy)-4-oxo-, hydrate
TL;DR: 4H-Pyran-2-carboxylic acid, 5-hydroxy-6-((isopropylamino)methy)-4-oxo-, hydrate (CAS 66748-41-2) is a chemical compound with molecular formula C10H13NO5 and molecular weight 227.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-4-oxo-6-[(propan-2-ylamino)methyl]pyran-2-carboxylic acid
Also Known As: 6-(Isopropylaminomethyl)comenic acid hydrate, 4H-Pyran-2-carboxylic acid, 5-hydroxy-6-((isopropylamino)methy)-4-oxo-, hydrate, 5-hydroxy-4-oxo-6-[(propan-2-ylamino)methyl]pyran-2-carboxylic acid, 5-Hydroxy-4-oxo-6-{[(propan-2-yl)amino]methyl}-4H-pyran-2-carboxylic acid, RefChem:297619
| Molecular Formula | C10H13NO5 |
|---|---|
| Molecular Weight | 227.08 g/mol |
| LogP | 0.5416 |
| Topological Polar Surface Area | 99.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.07938 |
| Heavy Atoms | 16 |
| Complexity | 449.01288 |
Chemical Identifiers
| CAS Number | 66748-41-2 |
|---|---|
| SMILES | CC(C)NCC1=C(C(=O)C=C(O1)C(=O)O)O |
Product Overview
4H-Pyran-2-carboxylic acid, 5-hydroxy-6-((isopropylamino)methy)-4-oxo-, hydrate (CAS 66748-41-2), with molecular formula C10H13NO5 and molecular weight 227.08 g/mol. IUPAC: 5-hydroxy-4-oxo-6-[(propan-2-ylamino)methyl]pyran-2-carboxylic acid.
Chemical Property Profile of 4H-Pyran-2-carboxylic acid, 5-hydroxy-6-((isopropylamino)methy)-4-oxo-, hydrate
Property Insights of 4H-Pyran-2-carboxylic acid, 5-hydroxy-6-((isopropylamino)methy)-4-oxo-, hydrate
The XLogP value of 0.5416 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-Pyran-2-carboxylic acid, 5-hydroxy-6-((isopropylamino)methy)-4-oxo-, hydrate. The TPSA of 99.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-Pyran-2-carboxylic acid, 5-hydroxy-6-((isopropylamino)methy)-4-oxo-, hydrate. Following Lipinski's Rule of Five, 4H-Pyran-2-carboxylic acid, 5-hydroxy-6-((isopropylamino)methy)-4-oxo-, hydrate has 3 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, 5-hydroxy-6-((isopropylamino)methy)-4-oxo-, hydrate?
The CAS number of 4H-Pyran-2-carboxylic acid, 5-hydroxy-6-((isopropylamino)methy)-4-oxo-, hydrate is 66748-41-2.
What is the molecular formula of 4H-Pyran-2-carboxylic acid, 5-hydroxy-6-((isopropylamino)methy)-4-oxo-, hydrate?
The molecular formula of 4H-Pyran-2-carboxylic acid, 5-hydroxy-6-((isopropylamino)methy)-4-oxo-, hydrate is C10H13NO5.
What is the molecular weight of 4H-Pyran-2-carboxylic acid, 5-hydroxy-6-((isopropylamino)methy)-4-oxo-, hydrate?
The molecular weight of 4H-Pyran-2-carboxylic acid, 5-hydroxy-6-((isopropylamino)methy)-4-oxo-, hydrate is 227.08 g/mol.
Where can I buy 4H-Pyran-2-carboxylic acid, 5-hydroxy-6-((isopropylamino)methy)-4-oxo-, hydrate?
You can request a quote for 4H-Pyran-2-carboxylic acid, 5-hydroxy-6-((isopropylamino)methy)-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, 5-hydroxy-6-((isopropylamino)methy)-4-oxo-, hydrate?
Yes, KEHONG BIO provides custom synthesis services for 4H-Pyran-2-carboxylic acid, 5-hydroxy-6-((isopropylamino)methy)-4-oxo-, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.