Divinorin heptanoate
TL;DR: Divinorin heptanoate (CAS 689295-72-5) is a chemical compound with molecular formula C28H38O8 and molecular weight 502.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-9-heptanoyloxy-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
Also Known As: divinorin heptanoate, Salvinorin heptanoate, divinorinyl-2-heptanoate, salvinorinyl-2-heptanoate, 2H-naphtho[2,1-c]pyran-7-carboxylic acid, 2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-9-[(1-oxoheptyl)oxy]-, methyl ester, (2S,4aR,6aR,7R,9S,10aS,10bR)-
| Molecular Formula | C28H38O8 |
|---|---|
| Molecular Weight | 502.26 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 502.25668 |
| Heavy Atoms | 36 |
| Complexity | 870.0 |
Chemical Identifiers
| CAS Number | 689295-72-5 |
|---|---|
| SMILES | CCCCCCC(=O)O[C@H]1C[C@H]([C@@]2(CC[C@H]3C(=O)O[C@@H](C[C@@]3([C@H]2C1=O)C)C4=COC=C4)C)C(=O)OC |
| InChIKey | PSUCGTUNURNBSM-HAOPNOOPSA-N |
Product Overview
Divinorin heptanoate (CAS 689295-72-5), with molecular formula C28H38O8 and molecular weight 502.26 g/mol. IUPAC: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-9-heptanoyloxy-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate.
Chemical Property Profile of Divinorin heptanoate
Property Insights of Divinorin heptanoate
The XLogP value of 5.0 indicates that Divinorin heptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Divinorin heptanoate. Following Lipinski's Rule of Five, Divinorin heptanoate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Divinorin heptanoate?
The CAS number of Divinorin heptanoate is 689295-72-5.
What is the molecular formula of Divinorin heptanoate?
The molecular formula of Divinorin heptanoate is C28H38O8.
What is the molecular weight of Divinorin heptanoate?
The molecular weight of Divinorin heptanoate is 502.26 g/mol.
Where can I buy Divinorin heptanoate?
You can request a quote for Divinorin heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Divinorin heptanoate?
Yes, KEHONG BIO provides custom synthesis services for Divinorin heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.