Isoline
TL;DR: Isoline (CAS 35223-32-6) 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,4R,6R,7S,17R)-4-ethyl-4-hydroxy-6,7-dimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-en-7-yl] acetate
Also Known As: Isoline, Ruwenine, Isolin, Isoline (alkaloid), SID:135727650
| Molecular Formula | C20H29NO7 |
|---|---|
| Molecular Weight | 395.19 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 395.1944 |
| Heavy Atoms | 28 |
| Complexity | 705.0 |
Chemical Identifiers
| CAS Number | 35223-32-6 |
|---|---|
| SMILES | CC[C@]1(C[C@H]([C@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)OC(=O)C)C)O |
| InChIKey | IYLGZMTXKJYONK-ACLXAEORSA-N |
Product Overview
Isoline (CAS 35223-32-6), with molecular formula C20H29NO7 and molecular weight 395.19 g/mol. IUPAC: [(1R,4R,6R,7S,17R)-4-ethyl-4-hydroxy-6,7-dimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-en-7-yl] acetate.
Chemical Property Profile of Isoline
Property Insights of Isoline
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoline. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoline. Following Lipinski's Rule of Five, Isoline 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 Isoline?
The CAS number of Isoline is 35223-32-6.
What is the molecular formula of Isoline?
The molecular formula of Isoline is C20H29NO7.
What is the molecular weight of Isoline?
The molecular weight of Isoline is 395.19 g/mol.
Where can I buy Isoline?
You can request a quote for Isoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoline?
Yes, KEHONG BIO provides custom synthesis services for Isoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.