6-O-Isobutyryl-butyrylhelenalin
TL;DR: 6-O-Isobutyryl-butyrylhelenalin (CAS 53658-84-7) is a chemical compound with molecular formula C17H24O5 and molecular weight 308.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,3S,7S,8S,10S)-3,8-dimethyl-13-methylidene-4,11,12-trioxatricyclo[8.3.0.03,7]tridec-5-en-2-yl] 2-methylpropanoate
Also Known As: 6-O-Isobutyryl-butyrylhelenalin, Propanoic acid, 2-methyl-, 2,3,3a,4,4a,5,7a,8,9,9a-decahydro-4a,8-dimethyl-3-methylene-2,5-dioxaazuleno(6,5-b)furan-4-yl ester, (3aR-(3aalpha,4alpha,4abeta,7aalpha,8alpha,9aalpha))-, (3aR,4R,4aS,7aS,8S,9aS)-4a,8-dimethyl-3-methylidene-3,3a,4,4a,7a,8,9,9a-octahydrofuro[2',3':4,5]cyclohepta[1,2-c][1,2]dioxol-4-yl 2-methylpropanoate, [(1R,2R,3S,7S,8S,10S)-3,8-dimethyl-13-methylidene-4,11,12-trioxatricyclo[8.3.0.03,7]tridec-5-en-2-yl] 2-methylpropanoate
| Molecular Formula | C17H24O5 |
|---|---|
| Molecular Weight | 308.16 g/mol |
| LogP | 2.9731 |
| Topological Polar Surface Area | 53.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.16238 |
| Heavy Atoms | 22 |
| Complexity | 511.17868 |
Chemical Identifiers
| CAS Number | 53658-84-7 |
|---|---|
| SMILES | C[C@H]1C[C@H]2[C@@H]([C@H]([C@@]3([C@@H]1C=CO3)C)OC(=O)C(C)C)C(=C)OO2 |
Product Overview
6-O-Isobutyryl-butyrylhelenalin (CAS 53658-84-7), with molecular formula C17H24O5 and molecular weight 308.16 g/mol. IUPAC: [(1R,2R,3S,7S,8S,10S)-3,8-dimethyl-13-methylidene-4,11,12-trioxatricyclo[8.3.0.03,7]tridec-5-en-2-yl] 2-methylpropanoate.
Chemical Property Profile of 6-O-Isobutyryl-butyrylhelenalin
Property Insights of 6-O-Isobutyryl-butyrylhelenalin
The XLogP value of 2.9731 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-O-Isobutyryl-butyrylhelenalin. With a topological polar surface area (TPSA) of 53.99 Ų, 6-O-Isobutyryl-butyrylhelenalin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-O-Isobutyryl-butyrylhelenalin 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-Isobutyryl-butyrylhelenalin?
The CAS number of 6-O-Isobutyryl-butyrylhelenalin is 53658-84-7.
What is the molecular formula of 6-O-Isobutyryl-butyrylhelenalin?
The molecular formula of 6-O-Isobutyryl-butyrylhelenalin is C17H24O5.
What is the molecular weight of 6-O-Isobutyryl-butyrylhelenalin?
The molecular weight of 6-O-Isobutyryl-butyrylhelenalin is 308.16 g/mol.
Where can I buy 6-O-Isobutyryl-butyrylhelenalin?
You can request a quote for 6-O-Isobutyryl-butyrylhelenalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-O-Isobutyryl-butyrylhelenalin?
Yes, KEHONG BIO provides custom synthesis services for 6-O-Isobutyryl-butyrylhelenalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.