Paniculadiol
TL;DR: Paniculadiol (CAS 122279-89-4) is a chemical compound with molecular formula C20H30O4 and molecular weight 334.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[(1S,2R,4aS,8aR)-4a,5-bis(hydroxymethyl)-1,2-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2H-furan-5-one
Also Known As: Paniculadiol, (-)-Paniculadiol, 2(5H)-Furanone, 4-(2-(1,2,3,4,4a,7,8,8a-octahydro-4a,5-bis(hydroxymethyl)-1,2-dimethyl-1-naphthalenyl)ethyl)-, (1S-(1alpha,2beta,4abeta,8aalpha))-, 3-[2-[(1S,2R,4aS,8aR)-4a,5-bis(hydroxymethyl)-1,2-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2H-furan-5-one, 3-(2-((1S,2R,4aS,8aR)-4a,5-bis(hydroxymethyl)-1,2-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)ethyl)-2H-furan-5-one
| Molecular Formula | C20H30O4 |
|---|---|
| Molecular Weight | 334.21 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.21442 |
| Heavy Atoms | 24 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 122279-89-4 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CCC3=CC(=O)OC3)CCC=C2CO)CO |
| InChIKey | LOQIVSNSTMYXOS-SIKIZQCASA-N |
Product Overview
Paniculadiol (CAS 122279-89-4), with molecular formula C20H30O4 and molecular weight 334.21 g/mol. IUPAC: 3-[2-[(1S,2R,4aS,8aR)-4a,5-bis(hydroxymethyl)-1,2-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2H-furan-5-one.
Chemical Property Profile of Paniculadiol
Property Insights of Paniculadiol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Paniculadiol. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Paniculadiol. Following Lipinski's Rule of Five, Paniculadiol has 2 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 Paniculadiol?
The CAS number of Paniculadiol is 122279-89-4.
What is the molecular formula of Paniculadiol?
The molecular formula of Paniculadiol is C20H30O4.
What is the molecular weight of Paniculadiol?
The molecular weight of Paniculadiol is 334.21 g/mol.
Where can I buy Paniculadiol?
You can request a quote for Paniculadiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Paniculadiol?
Yes, KEHONG BIO provides custom synthesis services for Paniculadiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.