Kerlinolide
TL;DR: Kerlinolide (CAS 98644-42-9) is a chemical compound with molecular formula C22H28O7 and molecular weight 404.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-[2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-3-oxo-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-9-yl] acetate
Also Known As: Kerlinolide, (-)-Kerlinolide, [7-[2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-3-oxo-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-9-yl] acetate, 7-[2-Hydroxy-2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-7,8-dimethyl-3-oxo-3,5,6,6a,7,8,9,10-octahydro-1H-naphtho[1,8a-c]furan-9-yl acetate, RefChem:350357
| Molecular Formula | C22H28O7 |
|---|---|
| Molecular Weight | 404.18 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.1835 |
| Heavy Atoms | 29 |
| Complexity | 812.0 |
Chemical Identifiers
| CAS Number | 98644-42-9 |
|---|---|
| SMILES | CC1C(CC23COC(=O)C2=CCCC3C1(C)CC(C4=CC(=O)OC4)O)OC(=O)C |
| InChIKey | SMXXBHJKHDZDPS-UHFFFAOYSA-N |
Product Overview
Kerlinolide (CAS 98644-42-9), with molecular formula C22H28O7 and molecular weight 404.18 g/mol. IUPAC: [7-[2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-3-oxo-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-9-yl] acetate.
Chemical Property Profile of Kerlinolide
Property Insights of Kerlinolide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Kerlinolide. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Kerlinolide. Following Lipinski's Rule of Five, Kerlinolide has 1 hydrogen bond donor(s) and 7 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 Kerlinolide?
The CAS number of Kerlinolide is 98644-42-9.
What is the molecular formula of Kerlinolide?
The molecular formula of Kerlinolide is C22H28O7.
What is the molecular weight of Kerlinolide?
The molecular weight of Kerlinolide is 404.18 g/mol.
Where can I buy Kerlinolide?
You can request a quote for Kerlinolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kerlinolide?
Yes, KEHONG BIO provides custom synthesis services for Kerlinolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.