Microsphaerone A
TL;DR: Microsphaerone A (CAS 437987-42-3) is a chemical compound with molecular formula C22H27NO8 and molecular weight 433.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8E,10E)-11-[5-[[(3S)-3-carboxybutanoyl]carbamoyl]-4-oxopyran-2-yl]undeca-8,10-dienoic acid
Also Known As: Microsphaerone A, J1.759.006E, (8E,10E)-11-[5-[[(3S)-3-carboxybutanoyl]carbamoyl]-4-oxopyran-2-yl]undeca-8,10-dienoic acid, 11-[5-(3-Carboxy-butyrylcarbamoyl)-4-oxo-4H-pyran-2-yl]-undeca-8,10-dienoic acid, (8E,10E)-11-(5-(((3S)-3-carboxybutanoyl)carbamoyl)-4-oxopyran-2-yl)undeca-8,10-dienoic acid
| Molecular Formula | C22H27NO8 |
|---|---|
| Molecular Weight | 433.17 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 433.17368 |
| Heavy Atoms | 31 |
| Complexity | 819.0 |
Chemical Identifiers
| CAS Number | 437987-42-3 |
|---|---|
| SMILES | C[C@@H](CC(=O)NC(=O)C1=COC(=CC1=O)/C=C/C=C/CCCCCCC(=O)O)C(=O)O |
| InChIKey | VXFQAPGOPXEMPB-ZDHJVBDKSA-N |
Product Overview
Microsphaerone A (CAS 437987-42-3), with molecular formula C22H27NO8 and molecular weight 433.17 g/mol. IUPAC: (8E,10E)-11-[5-[[(3S)-3-carboxybutanoyl]carbamoyl]-4-oxopyran-2-yl]undeca-8,10-dienoic acid.
Chemical Property Profile of Microsphaerone A
Property Insights of Microsphaerone A
The XLogP value of 3.0 indicates that Microsphaerone A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting Microsphaerone A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Microsphaerone A has 3 hydrogen bond donor(s) and 8 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 Microsphaerone A?
The CAS number of Microsphaerone A is 437987-42-3.
What is the molecular formula of Microsphaerone A?
The molecular formula of Microsphaerone A is C22H27NO8.
What is the molecular weight of Microsphaerone A?
The molecular weight of Microsphaerone A is 433.17 g/mol.
Where can I buy Microsphaerone A?
You can request a quote for Microsphaerone A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Microsphaerone A?
Yes, KEHONG BIO provides custom synthesis services for Microsphaerone A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.