Incanine
TL;DR: Incanine (CAS 5442-82-0) is a chemical compound with molecular formula C18H27NO5 and molecular weight 337.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5,6-dimethyl-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
Also Known As: Incanine, 5-hydroxy-4,5-dimethyl-3-(propan-2-yl)-4,5,8,10,12,13,13a,13b-octahydro-2h-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3h)-dione, 6-Hydroxy-5,6-dimethyl-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
| Molecular Formula | C18H27NO5 |
|---|---|
| Molecular Weight | 337.19 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 337.18893 |
| Heavy Atoms | 24 |
| Complexity | 572.0 |
Chemical Identifiers
| CAS Number | 5442-82-0 |
|---|---|
| SMILES | CC1C(C(=O)OC2CCN3C2C(=CC3)COC(=O)C1(C)O)C(C)C |
| InChIKey | DSYFCKQYQRJSLW-UHFFFAOYSA-N |
Product Overview
Incanine (CAS 5442-82-0), with molecular formula C18H27NO5 and molecular weight 337.19 g/mol. IUPAC: 6-hydroxy-5,6-dimethyl-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione.
Chemical Property Profile of Incanine
Property Insights of Incanine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Incanine. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Incanine. Following Lipinski's Rule of Five, Incanine 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 Incanine?
The CAS number of Incanine is 5442-82-0.
What is the molecular formula of Incanine?
The molecular formula of Incanine is C18H27NO5.
What is the molecular weight of Incanine?
The molecular weight of Incanine is 337.19 g/mol.
Where can I buy Incanine?
You can request a quote for Incanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Incanine?
Yes, KEHONG BIO provides custom synthesis services for Incanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.