4-吡哆酸内酯
TL;DR: 4-吡哆酸内酯 (CAS 96760-51-9) is a chemical compound with molecular formula C8H7NO3 and molecular weight 165.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-吡哆酸内酯
7-hydroxy-6-methyl-3H-furo[3,4-c]pyridin-1-one
Also Known As: 4-Pyridoxolactone, 4-Pyridoxic acid lactone, beta-Pyracin, .beta.-Pyracine, .beta.-Pyracin
| Molecular Formula | C8H7NO3 |
|---|---|
| Molecular Weight | 165.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 165.04259 |
| Heavy Atoms | 12 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 96760-51-9 |
|---|---|
| SMILES | CC1=NC=C2COC(=O)C2=C1O |
| InChIKey | HHPDVQLBYQFYFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-吡哆酸内酯 (CAS 96760-51-9), with molecular formula C8H7NO3 and molecular weight 165.04 g/mol. IUPAC: 7-hydroxy-6-methyl-3H-furo[3,4-c]pyridin-1-one.
Chemical Property Profile of 4-吡哆酸内酯
Property Insights of 4-吡哆酸内酯
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-吡哆酸内酯. With a topological polar surface area (TPSA) of 59.4 Ų, 4-吡哆酸内酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-吡哆酸内酯 has 1 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-吡哆酸内酯?
The CAS number of 4-吡哆酸内酯 is 96760-51-9.
What is the molecular formula of 4-吡哆酸内酯?
The molecular formula of 4-吡哆酸内酯 is C8H7NO3.
What is the molecular weight of 4-吡哆酸内酯?
The molecular weight of 4-吡哆酸内酯 is 165.04 g/mol.
Where can I buy 4-吡哆酸内酯?
You can request a quote for 4-吡哆酸内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-吡哆酸内酯?
Yes, KEHONG BIO provides custom synthesis services for 4-吡哆酸内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.