Parguerol
TL;DR: Parguerol (CAS 83115-36-0) 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)-3-hydroxy-1a-(hydroxymethyl)-5,7b-dimethyl-1,1b,2,3,3a,4,6,8,9,9a-decahydrocyclopropa[a]phenanthren-9-yl] acetate
Also Known As: Parguerol, PARGUEROL B704730K754, [5-(1-bromo-2-hydroxyethyl)-3-hydroxy-1a-(hydroxymethyl)-5,7b-dimethyl-1,1b,2,3,3a,4,6,8,9,9a-decahydrocyclopropa[a]phenanthren-9-yl] acetate, 15-Bromo-7,16,18-trihydroxy-3,19-cyclopimar-9(11)-en-2-yl acetate
| Molecular Formula | C22H33BrO5 |
|---|---|
| Molecular Weight | 456.15 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.15115 |
| Heavy Atoms | 28 |
| Complexity | 694.0 |
Chemical Identifiers
| CAS Number | 83115-36-0 |
|---|---|
| SMILES | CC(=O)OC1CC2(C(CC(C3C2=CCC(C3)(C)C(CO)Br)O)C4(C1C4)CO)C |
| InChIKey | NQFSWQKJYOCNSD-UHFFFAOYSA-N |
Product Overview
Parguerol (CAS 83115-36-0), with molecular formula C22H33BrO5 and molecular weight 456.15 g/mol. IUPAC: [5-(1-bromo-2-hydroxyethyl)-3-hydroxy-1a-(hydroxymethyl)-5,7b-dimethyl-1,1b,2,3,3a,4,6,8,9,9a-decahydrocyclopropa[a]phenanthren-9-yl] acetate.
Chemical Property Profile of Parguerol
Property Insights of Parguerol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Parguerol. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Parguerol. Following Lipinski's Rule of Five, Parguerol 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 Parguerol?
The CAS number of Parguerol is 83115-36-0.
What is the molecular formula of Parguerol?
The molecular formula of Parguerol is C22H33BrO5.
What is the molecular weight of Parguerol?
The molecular weight of Parguerol is 456.15 g/mol.
Where can I buy Parguerol?
You can request a quote for Parguerol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Parguerol?
Yes, KEHONG BIO provides custom synthesis services for Parguerol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.