Phomopsolide A
TL;DR: Phomopsolide A (CAS 97529-83-4) is a chemical compound with molecular formula C15H18O6 and molecular weight 294.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S)-2-[(Z)-4-hydroxy-3-oxopent-1-enyl]-6-oxo-2,3-dihydropyran-3-yl] (E)-2-methylbut-2-enoate
Also Known As: phomopsolide A, 6(E)-phomopsolide A, [(2S,3S)-2-[(Z)-4-hydroxy-3-oxopent-1-enyl]-6-oxo-2,3-dihydropyran-3-yl] (E)-2-methylbut-2-enoate, ((2S,3S)-2-((Z)-4-hydroxy-3-oxopent-1-enyl)-6-oxo-2,3-dihydropyran-3-yl) (E)-2-methylbut-2-enoate, (2S,3S)-2-[(1Z)-4-hydroxy-3-oxopent-1-en-1-yl]-6-oxo-3,6-dihydro-2H-pyran-3-yl (2E)-2-methylbut-2-enoate
| Molecular Formula | C15H18O6 |
|---|---|
| Molecular Weight | 294.11 g/mol |
| LogP | 0.8521 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.11035 |
| Heavy Atoms | 21 |
| Complexity | 512.2569 |
Chemical Identifiers
| CAS Number | 97529-83-4 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)O[C@H]1C=CC(=O)O[C@H]1/C=C\C(=O)C(C)O |
Product Overview
Phomopsolide A (CAS 97529-83-4), with molecular formula C15H18O6 and molecular weight 294.11 g/mol. IUPAC: [(2S,3S)-2-[(Z)-4-hydroxy-3-oxopent-1-enyl]-6-oxo-2,3-dihydropyran-3-yl] (E)-2-methylbut-2-enoate.
Chemical Property Profile of Phomopsolide A
Property Insights of Phomopsolide A
The XLogP value of 0.8521 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phomopsolide A. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Phomopsolide A. Following Lipinski's Rule of Five, Phomopsolide A has 1 hydrogen bond donor(s) and 6 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 Phomopsolide A?
The CAS number of Phomopsolide A is 97529-83-4.
What is the molecular formula of Phomopsolide A?
The molecular formula of Phomopsolide A is C15H18O6.
What is the molecular weight of Phomopsolide A?
The molecular weight of Phomopsolide A is 294.11 g/mol.
Where can I buy Phomopsolide A?
You can request a quote for Phomopsolide A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phomopsolide A?
Yes, KEHONG BIO provides custom synthesis services for Phomopsolide A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.