Angularine
TL;DR: Angularine (CAS 1354-37-6) is a chemical compound with molecular formula C18H25NO6 and molecular weight 351.16818 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,4Z,7R,11S,12S,17R)-4-ethylidene-7,12-dihydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione
Also Known As: Angularine, J2.772.236I, Senecionan-11,16-dione, 13,19-didehydro-1,2-dihydro-2,12-dihydroxy-, (1alpha,2alpha)-, (1R,4Z,7R,11S,12S,17R)-4-ethylidene-7,12-dihydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione, (15Z)-2alpha,12-Dihydroxy-1alpha-13,19-didehydro-1,2-dihydrosenecionan-11,16-dione
Technical Specifications
| Molecular Formula | C18H25NO6 |
| Molecular Weight | 351.16818 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 351.16818 Da |
| Heavy Atoms | 25 |
| Complexity | 629.0 |
| SMILES | C/C=C\1/CC(=C)[C@@](C(=O)OC[C@H]2[C@@H](CN3[C@H]2[C@@H](CC3)OC1=O)O)(C)O |
| InChIKey | MCWACAVORNFEFS-HMNNQIDUSA-N |
Chemical Property Profile of Angularine
Property Insights of Angularine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Angularine. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Angularine. Following Lipinski's Rule of Five, Angularine has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Angularine?
The CAS number of Angularine is 1354-37-6.
What is the molecular formula of Angularine?
The molecular formula of Angularine is C18H25NO6.
What is the molecular weight of Angularine?
The molecular weight of Angularine is 351.16818 g/mol.
Where can I buy Angularine?
You can request a quote for Angularine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Angularine?
Yes, CoreyChem provides custom synthesis services for Angularine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.