Isoclavicin
TL;DR: Isoclavicin (CAS 484-91-3) 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.
3,5-dihydro-2H-furo[3,4-b]pyran-4,7-dione
Also Known As: ISOCLAVICIN, isopatulin, Isoclavacin, 2H-Furo(3,4-b)pyran-4,7(3H,5H)-dione, 2H-furo[3,4-b]pyran-4,7(3H,5H)-dione
| Molecular Formula | C7H6O4 |
|---|---|
| Molecular Weight | 154.03 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.02661 |
| Heavy Atoms | 11 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 484-91-3 |
|---|---|
| SMILES | C1COC2=C(C1=O)COC2=O |
| InChIKey | CGCAHEDRSBRAIM-UHFFFAOYSA-N |
Product Overview
Isoclavicin (CAS 484-91-3), with molecular formula C7H6O4 and molecular weight 154.03 g/mol. IUPAC: 3,5-dihydro-2H-furo[3,4-b]pyran-4,7-dione.
Chemical Property Profile of Isoclavicin
Property Insights of Isoclavicin
The XLogP value of -0.4 indicates that Isoclavicin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.6 Ų, Isoclavicin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoclavicin has 0 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 Isoclavicin?
The CAS number of Isoclavicin is 484-91-3.
What is the molecular formula of Isoclavicin?
The molecular formula of Isoclavicin is C7H6O4.
What is the molecular weight of Isoclavicin?
The molecular weight of Isoclavicin is 154.03 g/mol.
Where can I buy Isoclavicin?
You can request a quote for Isoclavicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoclavicin?
Yes, KEHONG BIO provides custom synthesis services for Isoclavicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.