Rosmarinine 2-acetate
TL;DR: Rosmarinine 2-acetate (CAS 137760-53-3) is a chemical compound with molecular formula C20H29NO7 and molecular weight 395.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,4Z,6R,7R,11S,12S,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecan-12-yl] acetate
Also Known As: Rosmarinine 2-acetate, 12-O-Acetylrosmarinine, 2-O-Acetylrosmarinine, [(1R,4Z,6R,7R,11S,12S,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecan-12-yl] acetate, Senecionan-11,16-dione, 2-(acetyloxy)-1,2-dihydro-12-hydroxy-, (1a,2a)-
| Molecular Formula | C20H29NO7 |
|---|---|
| Molecular Weight | 395.19 g/mol |
| LogP | 0.8143 |
| Topological Polar Surface Area | 102.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 395.1944 |
| Heavy Atoms | 28 |
| Complexity | 686.0417 |
Chemical Identifiers
| CAS Number | 137760-53-3 |
|---|---|
| SMILES | C/C=C\1/C[C@H]([C@@](C(=O)OC[C@H]2[C@@H](CN3[C@H]2[C@@H](CC3)OC1=O)OC(=O)C)(C)O)C |
Product Overview
Rosmarinine 2-acetate (CAS 137760-53-3), with molecular formula C20H29NO7 and molecular weight 395.19 g/mol. IUPAC: [(1R,4Z,6R,7R,11S,12S,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecan-12-yl] acetate.
Chemical Property Profile of Rosmarinine 2-acetate
Property Insights of Rosmarinine 2-acetate
The XLogP value of 0.8143 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rosmarinine 2-acetate. The TPSA of 102.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Rosmarinine 2-acetate. Following Lipinski's Rule of Five, Rosmarinine 2-acetate has 1 hydrogen bond donor(s) and 8 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 Rosmarinine 2-acetate?
The CAS number of Rosmarinine 2-acetate is 137760-53-3.
What is the molecular formula of Rosmarinine 2-acetate?
The molecular formula of Rosmarinine 2-acetate is C20H29NO7.
What is the molecular weight of Rosmarinine 2-acetate?
The molecular weight of Rosmarinine 2-acetate is 395.19 g/mol.
Where can I buy Rosmarinine 2-acetate?
You can request a quote for Rosmarinine 2-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rosmarinine 2-acetate?
Yes, KEHONG BIO provides custom synthesis services for Rosmarinine 2-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.