Microhelenin C
TL;DR: Microhelenin C (CAS 63569-07-3) is a chemical compound with molecular formula C20H26O5 and molecular weight 346.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 2-methylbut-2-enoate
Also Known As: Microhelenin C, BREVILIN A, (3S,3AR,4S,4AR,7AR,8R,9AR)-3,4A,8-TRIMETHYL-2,5-DIOXO-3H,3AH,4H,7AH,8H,9H,9AH-AZULENO[6,5-B]FURAN-4-YL (2Z)-2-METHYLBUT-2-ENOATE
| Molecular Formula | C20H26O5 |
|---|---|
| Molecular Weight | 346.18 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.178 |
| Heavy Atoms | 25 |
| Complexity | 676.0 |
Chemical Identifiers
| CAS Number | 63569-07-3 |
|---|---|
| SMILES | CC=C(C)C(=O)O[C@H]1[C@@H]2[C@@H](C(=O)O[C@@H]2C[C@H]([C@H]3[C@]1(C(=O)C=C3)C)C)C |
| InChIKey | KUPPZVXLWANEJJ-QJWIRWAPSA-N |
Product Overview
Microhelenin C (CAS 63569-07-3), with molecular formula C20H26O5 and molecular weight 346.18 g/mol. IUPAC: [(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 2-methylbut-2-enoate.
Chemical Property Profile of Microhelenin C
Property Insights of Microhelenin C
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Microhelenin C. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Microhelenin C. Following Lipinski's Rule of Five, Microhelenin C has 0 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 Microhelenin C?
The CAS number of Microhelenin C is 63569-07-3.
What is the molecular formula of Microhelenin C?
The molecular formula of Microhelenin C is C20H26O5.
What is the molecular weight of Microhelenin C?
The molecular weight of Microhelenin C is 346.18 g/mol.
Where can I buy Microhelenin C?
You can request a quote for Microhelenin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Microhelenin C?
Yes, KEHONG BIO provides custom synthesis services for Microhelenin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.