Jacozine
TL;DR: Jacozine (CAS 5532-23-0) is a chemical compound with molecular formula C18H23NO6 and molecular weight 349.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3'S,4S,7R,17R)-7-hydroxy-3',7-dimethyl-6-methylidenespiro[2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-4,2'-oxirane]-3,8-dione
Also Known As: Jacozine, 13,19-didehydrojacobine, (1R,3'S,4S,7R,17R)-7-hydroxy-3',7-dimethyl-6-methylidenespiro[2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-4,2'-oxirane]-3,8-dione, Senecionan-11,16-dione, 13,19-didehydro-15,20-epoxy-15,20-dihydro-12-hydroxy-, (15alpha,20S)-, Spiro((1,6)dioxacyclododecino(2,3,4-gh)pyrrolizine-3(2H),2'-oxirane)-2,7(4H)-dione, 5,6,9,11,13,14,14a,14b-octahydro-6-hydroxy-3',6-dimethyl-5-methylene-, (3S,3'S,6R,14aR,14bR)-
| Molecular Formula | C18H23NO6 |
|---|---|
| Molecular Weight | 349.15 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 349.15253 |
| Heavy Atoms | 25 |
| Complexity | 687.0 |
Chemical Identifiers
| CAS Number | 5532-23-0 |
|---|---|
| SMILES | C[C@H]1[C@@]2(O1)CC(=C)[C@@](C(=O)OCC3=CCN4[C@H]3[C@@H](CC4)OC2=O)(C)O |
| InChIKey | XCEPKQNOWNOSFH-CGPXFRKCSA-N |
Product Overview
Jacozine (CAS 5532-23-0), with molecular formula C18H23NO6 and molecular weight 349.15 g/mol. IUPAC: (1R,3'S,4S,7R,17R)-7-hydroxy-3',7-dimethyl-6-methylidenespiro[2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-4,2'-oxirane]-3,8-dione.
Chemical Property Profile of Jacozine
Property Insights of Jacozine
The XLogP value of -0.2 indicates that Jacozine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Jacozine. Following Lipinski's Rule of Five, Jacozine 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 Jacozine?
The CAS number of Jacozine is 5532-23-0.
What is the molecular formula of Jacozine?
The molecular formula of Jacozine is C18H23NO6.
What is the molecular weight of Jacozine?
The molecular weight of Jacozine is 349.15 g/mol.
Where can I buy Jacozine?
You can request a quote for Jacozine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Jacozine?
Yes, KEHONG BIO provides custom synthesis services for Jacozine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.