Isoparguerol
TL;DR: Isoparguerol (CAS 83115-46-2) is a chemical compound with molecular formula C22H33BrO5 and molecular weight 456.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(1-bromo-2-hydroxyethyl)-8,11-dihydroxy-1,5-dimethyl-15-tetracyclo[8.6.0.02,7.011,14]hexadec-2-enyl] acetate
Also Known As: Isoparguerol, ISOPARGUEROL B704730K757, (5-(1-bromo-2-hydroxyethyl)-8,11-dihydroxy-1,5-dimethyl-15-tetracyclo(8.6.0.02,7.011,14)hexadec-2-enyl) acetate, [5-(1-bromo-2-hydroxyethyl)-8,11-dihydroxy-1,5-dimethyl-15-tetracyclo[8.6.0.02,7.011,14]hexadec-2-enyl] acetate, 6-(1-Bromo-2-hydroxyethyl)-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 | C22H33BrO5 |
|---|---|
| Molecular Weight | 456.15 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.15115 |
| Heavy Atoms | 28 |
| Complexity | 694.0 |
Chemical Identifiers
| CAS Number | 83115-46-2 |
|---|---|
| SMILES | CC(=O)OC1CC2(C(CC(C3C2=CCC(C3)(C)C(CO)Br)O)C4(C1CC4)O)C |
| InChIKey | GQGQFMYAQIAQJH-UHFFFAOYSA-N |
Product Overview
Isoparguerol (CAS 83115-46-2), with molecular formula C22H33BrO5 and molecular weight 456.15 g/mol. IUPAC: [5-(1-bromo-2-hydroxyethyl)-8,11-dihydroxy-1,5-dimethyl-15-tetracyclo[8.6.0.02,7.011,14]hexadec-2-enyl] acetate.
Chemical Property Profile of Isoparguerol
Property Insights of Isoparguerol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoparguerol. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoparguerol. Following Lipinski's Rule of Five, Isoparguerol has 3 hydrogen bond donor(s) and 5 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?
The CAS number of Isoparguerol is 83115-46-2.
What is the molecular formula of Isoparguerol?
The molecular formula of Isoparguerol is C22H33BrO5.
What is the molecular weight of Isoparguerol?
The molecular weight of Isoparguerol is 456.15 g/mol.
Where can I buy Isoparguerol?
You can request a quote for Isoparguerol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoparguerol?
Yes, KEHONG BIO provides custom synthesis services for Isoparguerol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.