Parguerol-16-acetate
TL;DR: Parguerol-16-acetate (CAS 83115-43-9) 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-[9-acetyloxy-3-hydroxy-1a-(hydroxymethyl)-5,7b-dimethyl-1,1b,2,3,3a,4,6,8,9,9a-decahydrocyclopropa[a]phenanthren-5-yl]-2-bromoethyl] acetate
Also Known As: PARGUEROL-16-ACETATE, 15-Bromo-7,18-dihydroxy-3,19-cyclopimar-9(11)-ene-2,16-diyl diacetate, [2-[9-acetyloxy-3-hydroxy-1a-(hydroxymethyl)-5,7b-dimethyl-1,1b,2,3,3a,4,6,8,9,9a-decahydrocyclopropa[a]phenanthren-5-yl]-2-bromoethyl] acetate
| Molecular Formula | C24H35BrO6 |
|---|---|
| Molecular Weight | 498.16 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.1617 |
| Heavy Atoms | 31 |
| Complexity | 797.0 |
Chemical Identifiers
| CAS Number | 83115-43-9 |
|---|---|
| SMILES | CC(=O)OCC(C1(CC=C2C(C1)C(CC3C2(CC(C4C3(C4)CO)OC(=O)C)C)O)C)Br |
| InChIKey | UQVYEAXUIYZUCO-UHFFFAOYSA-N |
Product Overview
Parguerol-16-acetate (CAS 83115-43-9), with molecular formula C24H35BrO6 and molecular weight 498.16 g/mol. IUPAC: [2-[9-acetyloxy-3-hydroxy-1a-(hydroxymethyl)-5,7b-dimethyl-1,1b,2,3,3a,4,6,8,9,9a-decahydrocyclopropa[a]phenanthren-5-yl]-2-bromoethyl] acetate.
Chemical Property Profile of Parguerol-16-acetate
Property Insights of Parguerol-16-acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Parguerol-16-acetate. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Parguerol-16-acetate. Following Lipinski's Rule of Five, Parguerol-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 Parguerol-16-acetate?
The CAS number of Parguerol-16-acetate is 83115-43-9.
What is the molecular formula of Parguerol-16-acetate?
The molecular formula of Parguerol-16-acetate is C24H35BrO6.
What is the molecular weight of Parguerol-16-acetate?
The molecular weight of Parguerol-16-acetate is 498.16 g/mol.
Where can I buy Parguerol-16-acetate?
You can request a quote for Parguerol-16-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Parguerol-16-acetate?
Yes, KEHONG BIO provides custom synthesis services for Parguerol-16-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.