Isoacetoxycrenulatin
TL;DR: Isoacetoxycrenulatin (CAS 89320-74-1) is a chemical compound with molecular formula C22H32O4 and molecular weight 360.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,4S,5R,7R,8S)-5-methyl-8-[(2R)-6-methylhept-5-en-2-yl]-10-oxo-11-oxatricyclo[7.3.0.02,4]dodec-1(9)-en-7-yl] acetate
Also Known As: Isoacetoxycrenulatin, [[(1R)-1,5-dimethylhex-4-enyl]-methyl-oxo-[?]yl] acetate, (4S,5R,7R,7aS,8aS)-7-Methyl-4-(6-methylhept-5-en-2-yl)-3-oxo-3,4,5,6,7,7a,8,8a-octahydro-1H-cyclopropa[3,4]cycloocta[1,2-c]furan-5-yl acetate, 7-Methyl-4-(6-methylhept-5-en-2-yl)-3-oxo-3,4,5,6,7,7a,8,8a-octahydro-1H-cyclopropa[3,4]cycloocta[1,2-c]furan-5-yl acetate
| Molecular Formula | C22H32O4 |
|---|---|
| Molecular Weight | 360.23 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.23007 |
| Heavy Atoms | 26 |
| Complexity | 641.0 |
Chemical Identifiers
| CAS Number | 89320-74-1 |
|---|---|
| SMILES | C[C@@H]1C[C@H]([C@H](C2=C(COC2=O)[C@@H]3[C@H]1C3)[C@H](C)CCC=C(C)C)OC(=O)C |
| InChIKey | AKUDLPRCYTWGQW-VMCOHINHSA-N |
Product Overview
Isoacetoxycrenulatin (CAS 89320-74-1), with molecular formula C22H32O4 and molecular weight 360.23 g/mol. IUPAC: [(2S,4S,5R,7R,8S)-5-methyl-8-[(2R)-6-methylhept-5-en-2-yl]-10-oxo-11-oxatricyclo[7.3.0.02,4]dodec-1(9)-en-7-yl] acetate.
Chemical Property Profile of Isoacetoxycrenulatin
Property Insights of Isoacetoxycrenulatin
The XLogP value of 4.6 indicates that Isoacetoxycrenulatin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Isoacetoxycrenulatin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoacetoxycrenulatin has 0 hydrogen bond donor(s) and 4 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 Isoacetoxycrenulatin?
The CAS number of Isoacetoxycrenulatin is 89320-74-1.
What is the molecular formula of Isoacetoxycrenulatin?
The molecular formula of Isoacetoxycrenulatin is C22H32O4.
What is the molecular weight of Isoacetoxycrenulatin?
The molecular weight of Isoacetoxycrenulatin is 360.23 g/mol.
Where can I buy Isoacetoxycrenulatin?
You can request a quote for Isoacetoxycrenulatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoacetoxycrenulatin?
Yes, KEHONG BIO provides custom synthesis services for Isoacetoxycrenulatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.