Isoparguerol-16-acetate
TL;DR: Isoparguerol-16-acetate (CAS 83115-48-4) is a chemical compound with molecular formula C24H35BrO6 and molecular weight 498.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(15-acetyloxy-8,11-dihydroxy-1,5-dimethyl-5-tetracyclo[8.6.0.02,7.011,14]hexadec-2-enyl)-2-bromoethyl] acetate
Also Known As: Isoparguerol-16-acetate, ISOPARGUEROL-16-ACETATE B704730K758, (2-(15-acetyloxy-8,11-dihydroxy-1,5-dimethyl-5-tetracyclo(8.6.0.02,7.011,14)hexadec-2-enyl)-2-bromoethyl) acetate, [2-(15-acetyloxy-8,11-dihydroxy-1,5-dimethyl-5-tetracyclo[8.6.0.02,7.011,14]hexadec-2-enyl)-2-bromoethyl] acetate, 6-[2-(Acetyloxy)-1-bromoethyl]-2a,4-dihydroxy-6,8b-dimethyl-1,2,2a,2b,3,4,4a,5,6,7,8b,9,10,10a-tetradecahydrocyclobuta[a]phenanthren-10-yl acetate
| Molecular Formula | C24H35BrO6 |
|---|---|
| Molecular Weight | 498.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 498.1617 |
| Heavy Atoms | 31 |
| Complexity | 797.0 |
Chemical Identifiers
| CAS Number | 83115-48-4 |
|---|---|
| SMILES | CC(=O)OCC(C1(CC=C2C(C1)C(CC3C2(CC(C4C3(CC4)O)OC(=O)C)C)O)C)Br |
| InChIKey | WPIOQMPNSKHZNV-UHFFFAOYSA-N |
Product Overview
Isoparguerol-16-acetate (CAS 83115-48-4), with molecular formula C24H35BrO6 and molecular weight 498.16 g/mol. IUPAC: [2-(15-acetyloxy-8,11-dihydroxy-1,5-dimethyl-5-tetracyclo[8.6.0.02,7.011,14]hexadec-2-enyl)-2-bromoethyl] acetate.
Chemical Property Profile of Isoparguerol-16-acetate
Property Insights of Isoparguerol-16-acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoparguerol-16-acetate. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoparguerol-16-acetate. Following Lipinski's Rule of Five, Isoparguerol-16-acetate has 2 hydrogen bond donor(s) and 6 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 Isoparguerol-16-acetate?
The CAS number of Isoparguerol-16-acetate is 83115-48-4.
What is the molecular formula of Isoparguerol-16-acetate?
The molecular formula of Isoparguerol-16-acetate is C24H35BrO6.
What is the molecular weight of Isoparguerol-16-acetate?
The molecular weight of Isoparguerol-16-acetate is 498.16 g/mol.
Where can I buy Isoparguerol-16-acetate?
You can request a quote for Isoparguerol-16-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoparguerol-16-acetate?
Yes, KEHONG BIO provides custom synthesis services for Isoparguerol-16-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.