展青霉素
TL;DR: 展青霉素 (CAS 149-29-1) is a chemical compound with molecular formula C7H6O4 and molecular weight 154.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
展青霉素
4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one
Also Known As: patulin, Clavacin, Clavatin, Patuline, Expansine
| Molecular Formula | C7H6O4 |
|---|---|
| Molecular Weight | 154.03 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.02661 |
| Heavy Atoms | 11 |
| Complexity | 264.0 |
| Melting Point | 111.0 °C |
| Solubility | Soluble in ethanol, diethyl ether, acetone, benzene, and ethyl or amyl acetate |
| Vapor Pressure | 0.0000068 [mmHg] |
Chemical Identifiers
| CAS Number | 149-29-1 |
|---|---|
| SMILES | C1C=C2C(=CC(=O)O2)C(O1)O |
| InChIKey | ZRWPUFFVAOMMNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
展青霉素 (CAS 149-29-1), with molecular formula C7H6O4 and molecular weight 154.03 g/mol. IUPAC: 4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one.
Chemical Property Profile of 展青霉素
Property Insights of 展青霉素
The XLogP value of -1.0 indicates that 展青霉素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.8 Ų, 展青霉素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 展青霉素 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 展青霉素?
The CAS number of 展青霉素 is 149-29-1.
What is the molecular formula of 展青霉素?
The molecular formula of 展青霉素 is C7H6O4.
What is the molecular weight of 展青霉素?
The molecular weight of 展青霉素 is 154.03 g/mol.
Where can I buy 展青霉素?
You can request a quote for 展青霉素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 展青霉素?
Yes, KEHONG BIO provides custom synthesis services for 展青霉素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.