Pabulenol
TL;DR: Pabulenol (CAS 33889-70-2) is a chemical compound with molecular formula C16H14O5 and molecular weight 286.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2S)-2-hydroxy-3-methylbut-3-enoxy]furo[3,2-g]chromen-7-one
Also Known As: Pabulenol, 4-[(2S)-2-hydroxy-3-methylbut-3-enoxy]furo[3,2-g]chromen-7-one, {5-[2''(R)-Hydroxy-3''-methyl-3''-butenyl-oxy]furocoumarin}, 4-((2S)-2-hydroxy-3-methylbut-3-enoxy)furo(3,2-g)chromen-7-one, 4-[(2S)-2-hydroxy-3-methyl-but-3-enoxy]furo[3,2-g]chromen-7-one
| Molecular Formula | C16H14O5 |
|---|---|
| Molecular Weight | 286.08 g/mol |
| LogP | 2.855 |
| Topological Polar Surface Area | 72.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.08414 |
| Heavy Atoms | 21 |
| Complexity | 871.13135 |
Chemical Identifiers
| CAS Number | 33889-70-2 |
|---|---|
| SMILES | CC(=C)[C@@H](COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O |
Product Overview
Pabulenol (CAS 33889-70-2), with molecular formula C16H14O5 and molecular weight 286.08 g/mol. IUPAC: 4-[(2S)-2-hydroxy-3-methylbut-3-enoxy]furo[3,2-g]chromen-7-one.
Chemical Property Profile of Pabulenol
Property Insights of Pabulenol
The XLogP value of 2.855 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pabulenol. The TPSA of 72.81 Ų falls within the moderate polarity range, balancing permeability and solubility for Pabulenol. Following Lipinski's Rule of Five, Pabulenol has 1 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 Pabulenol?
The CAS number of Pabulenol is 33889-70-2.
What is the molecular formula of Pabulenol?
The molecular formula of Pabulenol is C16H14O5.
What is the molecular weight of Pabulenol?
The molecular weight of Pabulenol is 286.08 g/mol.
Where can I buy Pabulenol?
You can request a quote for Pabulenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pabulenol?
Yes, KEHONG BIO provides custom synthesis services for Pabulenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.