Portulal
TL;DR: Portulal (CAS 22571-65-9) is a chemical compound with molecular formula C20H32O4 and molecular weight 336.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,3aS,8aR)-1-[(Z)-5-hydroxy-3-(hydroxymethyl)pent-3-enyl]-1-(hydroxymethyl)-2,5-dimethyl-2,3,4,7,8,8a-hexahydroazulene-3a-carbaldehyde
Also Known As: Portulal, natural portulal, (1R,2R,3aS,8aR)-1-[(Z)-5-hydroxy-3-(hydroxymethyl)pent-3-enyl]-1-(hydroxymethyl)-2,5-dimethyl-2,3,4,7,8,8a-hexahydroazulene-3a-carbaldehyde, (1R)-1,2,3,3a,4,7,8,8abeta-Octahydro-1-[(Z)-5-hydroxy-3-hydroxymethyl-3-pentenyl]-1alpha-hydroxymethyl-2alpha,5-dimethyl-3abeta-azulenecarbaldehyde, (1R,2R,3aS,8aR)-1-[(3Z)-5-hydroxy-3-(hydroxymethyl)pent-3-en-1-yl]-1-(hydroxymethyl)-2,5-dimethyl-1,2,3,3a,4,7,8,8a-octahydroazulene-3a-carbaldehyde
| Molecular Formula | C20H32O4 |
|---|---|
| Molecular Weight | 336.23 g/mol |
| LogP | 2.6278 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 336.23007 |
| Heavy Atoms | 24 |
| Complexity | 509.76825 |
Chemical Identifiers
| CAS Number | 22571-65-9 |
|---|---|
| SMILES | C[C@@H]1C[C@@]2(CC(=CCC[C@@H]2[C@]1(CC/C(=C/CO)/CO)CO)C)C=O |
Product Overview
Portulal (CAS 22571-65-9), with molecular formula C20H32O4 and molecular weight 336.23 g/mol. IUPAC: (1R,2R,3aS,8aR)-1-[(Z)-5-hydroxy-3-(hydroxymethyl)pent-3-enyl]-1-(hydroxymethyl)-2,5-dimethyl-2,3,4,7,8,8a-hexahydroazulene-3a-carbaldehyde.
Chemical Property Profile of Portulal
Property Insights of Portulal
The XLogP value of 2.6278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Portulal. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Portulal. Following Lipinski's Rule of Five, Portulal has 3 hydrogen bond donor(s) and 4 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 Portulal?
The CAS number of Portulal is 22571-65-9.
What is the molecular formula of Portulal?
The molecular formula of Portulal is C20H32O4.
What is the molecular weight of Portulal?
The molecular weight of Portulal is 336.23 g/mol.
Where can I buy Portulal?
You can request a quote for Portulal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Portulal?
Yes, KEHONG BIO provides custom synthesis services for Portulal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.