Elisabatin A
TL;DR: Elisabatin A (CAS 237749-84-7) is a chemical compound with molecular formula C20H22O3 and molecular weight 310.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,6S)-7-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6-dihydro-4H-phenalene-1,2-dione
Also Known As: elisabatin A, elisabatin-A, PEH-II, NCI60_037264, J1.132.744C
| Molecular Formula | C20H22O3 |
|---|---|
| Molecular Weight | 310.16 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 310.1569 |
| Heavy Atoms | 23 |
| Complexity | 608.0 |
Chemical Identifiers
| CAS Number | 237749-84-7 |
|---|---|
| SMILES | C[C@H]1C[C@H](C2=C(C(=O)C(=O)C3=C2C1=C(C=C3C)O)C)C=C(C)C |
| InChIKey | JVQJPMIBFYBOEO-GXFFZTMASA-N |
Product Overview
Elisabatin A (CAS 237749-84-7), with molecular formula C20H22O3 and molecular weight 310.16 g/mol. IUPAC: (4S,6S)-7-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6-dihydro-4H-phenalene-1,2-dione.
Chemical Property Profile of Elisabatin A
Property Insights of Elisabatin A
The XLogP value of 4.0 indicates that Elisabatin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, Elisabatin A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Elisabatin A has 1 hydrogen bond donor(s) and 3 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 Elisabatin A?
The CAS number of Elisabatin A is 237749-84-7.
What is the molecular formula of Elisabatin A?
The molecular formula of Elisabatin A is C20H22O3.
What is the molecular weight of Elisabatin A?
The molecular weight of Elisabatin A is 310.16 g/mol.
Where can I buy Elisabatin A?
You can request a quote for Elisabatin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Elisabatin A?
Yes, KEHONG BIO provides custom synthesis services for Elisabatin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.