Integerrimine
TL;DR: Integerrimine (CAS 130-01-8) is a chemical compound with molecular formula C18H25NO5 and molecular weight 335.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,6R,7R,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
Also Known As: Integerrimine, Senecionin, SENECIONINE
| Molecular Formula | C18H25NO5 |
|---|---|
| Molecular Weight | 335.17 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 335.17328 |
| Heavy Atoms | 24 |
| Complexity | 611.0 |
Chemical Identifiers
| CAS Number | 130-01-8 |
|---|---|
| SMILES | CC=C1C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)C |
| InChIKey | HKODIGSRFALUTA-XKLVTHTNSA-N |
Product Overview
Integerrimine (CAS 130-01-8), with molecular formula C18H25NO5 and molecular weight 335.17 g/mol. IUPAC: (1R,6R,7R,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione.
Chemical Property Profile of Integerrimine
Property Insights of Integerrimine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Integerrimine. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Integerrimine. Following Lipinski's Rule of Five, Integerrimine has 1 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 Integerrimine?
The CAS number of Integerrimine is 130-01-8.
What is the molecular formula of Integerrimine?
The molecular formula of Integerrimine is C18H25NO5.
What is the molecular weight of Integerrimine?
The molecular weight of Integerrimine is 335.17 g/mol.
Where can I buy Integerrimine?
You can request a quote for Integerrimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Integerrimine?
Yes, KEHONG BIO provides custom synthesis services for Integerrimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.