6-O-Tiglorylbutyrylhelenalin
TL;DR: 6-O-Tiglorylbutyrylhelenalin (CAS 89708-26-9) is a chemical compound with molecular formula C20H24O5 and molecular weight 344.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] (E)-2-methylbut-2-enoate
Also Known As: Helenalin tiglate, 6-O-Tiglorylbutyrylhelenalin, J1.006.944K, [(3aR,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] (E)-2-methylbut-2-enoate, (3aR,4S,4aR,7aR,8R,9aR)-4a,8-dimethyl-3-methylidene-2,5-dioxo-2H,3H,3aH,4H,4aH,5H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-4-yl (2E)-2-methylbut-2-enoate
| Molecular Formula | C20H24O5 |
|---|---|
| Molecular Weight | 344.16 g/mol |
| LogP | 2.7634 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.16238 |
| Heavy Atoms | 25 |
| Complexity | 715.59814 |
Chemical Identifiers
| CAS Number | 89708-26-9 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)O[C@H]1[C@H]2[C@@H](C[C@H]([C@H]3[C@]1(C(=O)C=C3)C)C)OC(=O)C2=C |
Product Overview
6-O-Tiglorylbutyrylhelenalin (CAS 89708-26-9), with molecular formula C20H24O5 and molecular weight 344.16 g/mol. IUPAC: [(3aR,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] (E)-2-methylbut-2-enoate.
Chemical Property Profile of 6-O-Tiglorylbutyrylhelenalin
Property Insights of 6-O-Tiglorylbutyrylhelenalin
The XLogP value of 2.7634 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-O-Tiglorylbutyrylhelenalin. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-O-Tiglorylbutyrylhelenalin. Following Lipinski's Rule of Five, 6-O-Tiglorylbutyrylhelenalin 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 6-O-Tiglorylbutyrylhelenalin?
The CAS number of 6-O-Tiglorylbutyrylhelenalin is 89708-26-9.
What is the molecular formula of 6-O-Tiglorylbutyrylhelenalin?
The molecular formula of 6-O-Tiglorylbutyrylhelenalin is C20H24O5.
What is the molecular weight of 6-O-Tiglorylbutyrylhelenalin?
The molecular weight of 6-O-Tiglorylbutyrylhelenalin is 344.16 g/mol.
Where can I buy 6-O-Tiglorylbutyrylhelenalin?
You can request a quote for 6-O-Tiglorylbutyrylhelenalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-O-Tiglorylbutyrylhelenalin?
Yes, KEHONG BIO provides custom synthesis services for 6-O-Tiglorylbutyrylhelenalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.