Heraclenol 2'-O-senecioate
TL;DR: Heraclenol 2'-O-senecioate (CAS 108006-55-9) is a chemical compound with molecular formula C21H22O7 and molecular weight 386.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] 3-methylbut-2-enoate
Also Known As: Heraclenol 2'-O-senecioate, (2R)-3-Hydroxy-3-methyl-1-[(7-oxo-7H-furo[3,2-g][1]benzopyran-9-yl)oxy]butan-2-yl 3-methylbut-2-enoate, [(2R)-3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] 3-methylbut-2-enoate, 2-Butenoic acid, 3-methyl-, 2-hydroxy-2-methyl-1-(((7-oxo-7H-furo(3,2-g)(1)benzopyran-9-yl)oxy)methyl)propyl ester, (R)-
| Molecular Formula | C21H22O7 |
|---|---|
| Molecular Weight | 386.14 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.13657 |
| Heavy Atoms | 28 |
| Complexity | 662.0 |
Chemical Identifiers
| CAS Number | 108006-55-9 |
|---|---|
| SMILES | CC(=CC(=O)O[C@H](COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C(C)(C)O)C |
| InChIKey | YFMSPAAEUUQLDI-OAHLLOKOSA-N |
Product Overview
Heraclenol 2'-O-senecioate (CAS 108006-55-9), with molecular formula C21H22O7 and molecular weight 386.14 g/mol. IUPAC: [(2R)-3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] 3-methylbut-2-enoate.
Chemical Property Profile of Heraclenol 2'-O-senecioate
Property Insights of Heraclenol 2'-O-senecioate
The XLogP value of 3.3 indicates that Heraclenol 2'-O-senecioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Heraclenol 2'-O-senecioate. Following Lipinski's Rule of Five, Heraclenol 2'-O-senecioate has 1 hydrogen bond donor(s) and 7 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 Heraclenol 2'-O-senecioate?
The CAS number of Heraclenol 2'-O-senecioate is 108006-55-9.
What is the molecular formula of Heraclenol 2'-O-senecioate?
The molecular formula of Heraclenol 2'-O-senecioate is C21H22O7.
What is the molecular weight of Heraclenol 2'-O-senecioate?
The molecular weight of Heraclenol 2'-O-senecioate is 386.14 g/mol.
Where can I buy Heraclenol 2'-O-senecioate?
You can request a quote for Heraclenol 2'-O-senecioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heraclenol 2'-O-senecioate?
Yes, KEHONG BIO provides custom synthesis services for Heraclenol 2'-O-senecioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.