Dehydroanacrotine
TL;DR: Dehydroanacrotine (CAS 111844-46-3) 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.
(1S,4E,6R,7R,16R)-4-ethylidene-7,16-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadeca-11(17),12-diene-3,8-dione
Also Known As: Dehydroanacrotine, Senecionan-11,16-dione, 3,8-didehydro-6,12-dihydroxy-, (6beta)-, Senecionan-11,16-dione,3,8-didehydro-6,12-dihydroxy-,(6beta), (1S,4E,6R,7R,16R)-4-ethylidene-7,16-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadeca-11(17),12-diene-3,8-dione, RefChem:131455
| Molecular Formula | C18H23NO6 |
|---|---|
| Molecular Weight | 349.15 g/mol |
| LogP | 1.2272 |
| Topological Polar Surface Area | 97.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 349.15253 |
| Heavy Atoms | 25 |
| Complexity | 731.9248 |
Chemical Identifiers
| CAS Number | 111844-46-3 |
|---|---|
| SMILES | C/C=C/1\C[C@H]([C@@](C(=O)OCC2=C3[C@@H]([C@@H](CN3C=C2)O)OC1=O)(C)O)C |
Product Overview
Dehydroanacrotine (CAS 111844-46-3), with molecular formula C18H23NO6 and molecular weight 349.15 g/mol. IUPAC: (1S,4E,6R,7R,16R)-4-ethylidene-7,16-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadeca-11(17),12-diene-3,8-dione.
Chemical Property Profile of Dehydroanacrotine
Property Insights of Dehydroanacrotine
The XLogP value of 1.2272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dehydroanacrotine. The TPSA of 97.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Dehydroanacrotine. Following Lipinski's Rule of Five, Dehydroanacrotine has 2 hydrogen bond donor(s) and 6 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 Dehydroanacrotine?
The CAS number of Dehydroanacrotine is 111844-46-3.
What is the molecular formula of Dehydroanacrotine?
The molecular formula of Dehydroanacrotine is C18H23NO6.
What is the molecular weight of Dehydroanacrotine?
The molecular weight of Dehydroanacrotine is 349.15 g/mol.
Where can I buy Dehydroanacrotine?
You can request a quote for Dehydroanacrotine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydroanacrotine?
Yes, KEHONG BIO provides custom synthesis services for Dehydroanacrotine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.