Senecioylplenolin
TL;DR: Senecioylplenolin (CAS 90042-11-8) 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] 3-methylbut-2-enoate
Also Known As: Senecioylplenolin, 6-o-Senesioyl plenolin, ((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) 3-methylbut-2-enoate, 2-Butenoic acid, 3-methyl-, 2,3,3a,4,4a,5,7a,8,9,9a-decahydro-3,4a,8-trimethyl-2,5-dioxoazuleno(6,5-b)furan-4-yl ester, (3S-(3alpha,3abeta,4beta,4aalpha,7abeta,8beta,9abeta))-, (3S,3aR,4S,4aR,7aR,8R,9aR)-3,4a,8-trimethyl-2,5-dioxo-2H,3H,3aH,4H,4aH,5H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-4-yl 3-methylbut-2-enoate
| Molecular Formula | C20H26O5 |
|---|---|
| Molecular Weight | 346.18 g/mol |
| LogP | 2.8433 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.178 |
| Heavy Atoms | 25 |
| Complexity | 671.574 |
Chemical Identifiers
| CAS Number | 90042-11-8 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]2[C@@H]([C@@H](C(=O)O2)C)[C@@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C=C(C)C |
Product Overview
Senecioylplenolin (CAS 90042-11-8), 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] 3-methylbut-2-enoate.
Chemical Property Profile of Senecioylplenolin
Property Insights of Senecioylplenolin
The XLogP value of 2.8433 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Senecioylplenolin. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Senecioylplenolin. Following Lipinski's Rule of Five, Senecioylplenolin 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 Senecioylplenolin?
The CAS number of Senecioylplenolin is 90042-11-8.
What is the molecular formula of Senecioylplenolin?
The molecular formula of Senecioylplenolin is C20H26O5.
What is the molecular weight of Senecioylplenolin?
The molecular weight of Senecioylplenolin is 346.18 g/mol.
Where can I buy Senecioylplenolin?
You can request a quote for Senecioylplenolin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Senecioylplenolin?
Yes, KEHONG BIO provides custom synthesis services for Senecioylplenolin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.