MEGxp0_001623
TL;DR: MEGxp0_001623 (CAS 82425-21-6) is a chemical compound with molecular formula C20H24O6 and molecular weight 360.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,4R,6aR,9aR,9bR)-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
Also Known As: MEGxp0_001623, ACon1_000161, 2-Butenoic acid, 4-hydroxy-2-(hydroxymethyl)-, (3aR,4R,6aR,9aR,9bR)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-9-methyl-3,6-bis(methylene)-2-oxoazuleno(4,5-b)furan-4-yl ester, (2E)-, [(3aR,4R,6aR,9aR,9bR)-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
| Molecular Formula | C20H24O6 |
|---|---|
| Molecular Weight | 360.16 g/mol |
| LogP | 1.4493 |
| Topological Polar Surface Area | 93.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.1573 |
| Heavy Atoms | 26 |
| Complexity | 715.81305 |
Chemical Identifiers
| CAS Number | 82425-21-6 |
|---|---|
| SMILES | CC1=CC[C@@H]2[C@H]1[C@@H]3[C@@H]([C@@H](CC2=C)OC(=O)/C(=C/CO)/CO)C(=C)C(=O)O3 |
Product Overview
MEGxp0_001623 (CAS 82425-21-6), with molecular formula C20H24O6 and molecular weight 360.16 g/mol. IUPAC: [(3aR,4R,6aR,9aR,9bR)-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate.
Chemical Property Profile of MEGxp0_001623
Property Insights of MEGxp0_001623
The XLogP value of 1.4493 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MEGxp0_001623. The TPSA of 93.06 Ų falls within the moderate polarity range, balancing permeability and solubility for MEGxp0_001623. Following Lipinski's Rule of Five, MEGxp0_001623 has 2 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 MEGxp0_001623?
The CAS number of MEGxp0_001623 is 82425-21-6.
What is the molecular formula of MEGxp0_001623?
The molecular formula of MEGxp0_001623 is C20H24O6.
What is the molecular weight of MEGxp0_001623?
The molecular weight of MEGxp0_001623 is 360.16 g/mol.
Where can I buy MEGxp0_001623?
You can request a quote for MEGxp0_001623 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MEGxp0_001623?
Yes, KEHONG BIO provides custom synthesis services for MEGxp0_001623 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.