4-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)butanoic acid
TL;DR: 4-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)butanoic acid (CAS 376384-17-7) is a chemical compound with molecular formula C12H15NO5 and molecular weight 253.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]butanoic acid
Also Known As: 4-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)butanoic acid, 4-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]butanoic acid, 4-[(2,4-dimethyl-6-oxo-pyran-3-carbonyl)amino]butanoic Acid, 4-{[(4,6-dimethyl-2-oxo-2H-pyran-5-yl)carbonyl]amino}butanoic acid
| Molecular Formula | C12H15NO5 |
|---|---|
| Molecular Weight | 253.10 g/mol |
| LogP | 0.85124 |
| Topological Polar Surface Area | 96.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.09502 |
| Heavy Atoms | 18 |
| Complexity | 491.43933 |
Chemical Identifiers
| CAS Number | 376384-17-7 |
|---|---|
| SMILES | CC1=CC(=O)OC(=C1C(=O)NCCCC(=O)O)C |
Product Overview
4-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)butanoic acid (CAS 376384-17-7), with molecular formula C12H15NO5 and molecular weight 253.10 g/mol. IUPAC: 4-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]butanoic acid.
Chemical Property Profile of 4-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)butanoic acid
Property Insights of 4-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)butanoic acid
The XLogP value of 0.85124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)butanoic acid. The TPSA of 96.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)butanoic acid. Following Lipinski's Rule of Five, 4-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)butanoic acid has 2 hydrogen bond donor(s) and 4 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 4-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)butanoic acid?
The CAS number of 4-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)butanoic acid is 376384-17-7.
What is the molecular formula of 4-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)butanoic acid?
The molecular formula of 4-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)butanoic acid is C12H15NO5.
What is the molecular weight of 4-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)butanoic acid?
The molecular weight of 4-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)butanoic acid is 253.10 g/mol.
Where can I buy 4-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)butanoic acid?
You can request a quote for 4-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.