Crotananine
TL;DR: Crotananine (CAS 71295-28-8) is a chemical compound with molecular formula C17H25NO5 and molecular weight 323.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,17R)-7-hydroxy-4,5,6-trimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
Also Known As: Crotananine, Crotanamine, (1R,17R)-7-hydroxy-4,5,6-trimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione, (1,6)Dioxacyclododecino(2,3,4-gh)pyrrolizine-2,7-dione,3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-3,4,5-trimethyl-, (14aR,14bR)-, (13xi)-15,20-Dihydro-12-hydroxy-14-methyl-18,21-dinorsenecionan-11,16-dione
| Molecular Formula | C17H25NO5 |
|---|---|
| Molecular Weight | 323.17 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 | 323.17328 |
| Heavy Atoms | 23 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 71295-28-8 |
|---|---|
| SMILES | CC1C(C(C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC(=O)C1C)O)C |
| InChIKey | GFXWTYYPYYHXDK-GLDVEYQJSA-N |
Product Overview
Crotananine (CAS 71295-28-8), with molecular formula C17H25NO5 and molecular weight 323.17 g/mol. IUPAC: (1R,17R)-7-hydroxy-4,5,6-trimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione.
Chemical Property Profile of Crotananine
Property Insights of Crotananine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Crotananine. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Crotananine. Following Lipinski's Rule of Five, Crotananine 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 Crotananine?
The CAS number of Crotananine is 71295-28-8.
What is the molecular formula of Crotananine?
The molecular formula of Crotananine is C17H25NO5.
What is the molecular weight of Crotananine?
The molecular weight of Crotananine is 323.17 g/mol.
Where can I buy Crotananine?
You can request a quote for Crotananine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crotananine?
Yes, KEHONG BIO provides custom synthesis services for Crotananine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.