Rotundifuran
TL;DR: Rotundifuran (CAS 50656-65-0) is a chemical compound with molecular formula C22H34O4 and molecular weight 362.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,3R,4R,4aS,8aS)-4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate
Also Known As: Rotundifuran, (1R,3R,4R,4aS,8aS)-4-(2-(furan-3-yl)ethyl)-4-hydroxy-3,4a,8,8-tetramethyldecahydronaphthalen-1-yl acetate, [(1R,3R,4R,4aS,8aS)-4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate, (1R,3R,4R,4aS,8aS)-4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyldecahydronaphthalen-1-yl acetate, 1-[2-(3-Furyl)ethyl]decahydro-2
| Molecular Formula | C22H34O4 |
|---|---|
| Molecular Weight | 362.25 g/mol |
| LogP | 4.7474 |
| Topological Polar Surface Area | 59.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.2457 |
| Heavy Atoms | 26 |
| Complexity | 634.5773 |
Chemical Identifiers
| CAS Number | 50656-65-0 |
|---|---|
| SMILES | C[C@@H]1C[C@H]([C@@H]2[C@@]([C@]1(CCC3=COC=C3)O)(CCCC2(C)C)C)OC(=O)C |
Product Overview
Rotundifuran (CAS 50656-65-0), with molecular formula C22H34O4 and molecular weight 362.25 g/mol. IUPAC: [(1R,3R,4R,4aS,8aS)-4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate.
Chemical Property Profile of Rotundifuran
Property Insights of Rotundifuran
The XLogP value of 4.7474 indicates that Rotundifuran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.67 Ų, Rotundifuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Rotundifuran has 1 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 Rotundifuran?
The CAS number of Rotundifuran is 50656-65-0.
What is the molecular formula of Rotundifuran?
The molecular formula of Rotundifuran is C22H34O4.
What is the molecular weight of Rotundifuran?
The molecular weight of Rotundifuran is 362.25 g/mol.
Where can I buy Rotundifuran?
You can request a quote for Rotundifuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rotundifuran?
Yes, KEHONG BIO provides custom synthesis services for Rotundifuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.