Petasalbin
TL;DR: Petasalbin (CAS 4176-11-8) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,4aR,5S,8aR)-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-ol
Also Known As: Petasalbin, Ligularol, NCI60_025867, (4S)-4,4a,5,6,7,8,8abeta,9-Octahydro-3,4abeta,5beta-trimethylnaphtho[2,3-b]furan-4-ol, (4s,4ar,5s,8ar)-3,4a,5-trimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan-4-ol
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 33.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 4176-11-8 |
|---|---|
| SMILES | C[C@H]1CCC[C@H]2[C@@]1([C@@H](C3=C(C2)OC=C3C)O)C |
| InChIKey | ANKFPIBCTISOBX-RBDSIQFVSA-N |
Product Overview
Petasalbin (CAS 4176-11-8), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: (4S,4aR,5S,8aR)-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-ol.
Chemical Property Profile of Petasalbin
Property Insights of Petasalbin
The XLogP value of 3.7 indicates that Petasalbin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.4 Ų, Petasalbin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Petasalbin has 1 hydrogen bond donor(s) and 2 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 Petasalbin?
The CAS number of Petasalbin is 4176-11-8.
What is the molecular formula of Petasalbin?
The molecular formula of Petasalbin is C15H22O2.
What is the molecular weight of Petasalbin?
The molecular weight of Petasalbin is 234.16 g/mol.
Where can I buy Petasalbin?
You can request a quote for Petasalbin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Petasalbin?
Yes, KEHONG BIO provides custom synthesis services for Petasalbin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.