Microhelenin B
TL;DR: Microhelenin B (CAS 63569-08-4) is a chemical compound with molecular formula C20H28O5 and molecular weight 348.19 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-methylbutanoate
Also Known As: Microhelenin B, Microhelenin A, [(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-methylbutanoate, (3S,3aR,4S,4aR,7aR,8R,9aR)-3,4a,8-Trimethyl-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl 2-methylbutanoate, ((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-methylbutanoate
| Molecular Formula | C20H28O5 |
|---|---|
| Molecular Weight | 348.19 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.19366 |
| Heavy Atoms | 25 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 63569-08-4 |
|---|---|
| SMILES | CCC(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 | VSRLMYQKLUPERI-JCQBEPMYSA-N |
Product Overview
Microhelenin B (CAS 63569-08-4), with molecular formula C20H28O5 and molecular weight 348.19 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-methylbutanoate.
Chemical Property Profile of Microhelenin B
Property Insights of Microhelenin B
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Microhelenin B. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Microhelenin B. Following Lipinski's Rule of Five, Microhelenin B 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 B?
The CAS number of Microhelenin B is 63569-08-4.
What is the molecular formula of Microhelenin B?
The molecular formula of Microhelenin B is C20H28O5.
What is the molecular weight of Microhelenin B?
The molecular weight of Microhelenin B is 348.19 g/mol.
Where can I buy Microhelenin B?
You can request a quote for Microhelenin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Microhelenin B?
Yes, KEHONG BIO provides custom synthesis services for Microhelenin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.