Othonnine
TL;DR: Othonnine (CAS 14022-55-0) is a chemical compound with molecular formula C18H27NO6 and molecular weight 353.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,5R,16R)-6-ethyl-5,6-dihydroxy-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
Also Known As: Othonnine, (4r,13ar,13br)-5-ethyl-4,5-dihydroxy-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, (1R,5R,16R)-6-ethyl-5,6-dihydroxy-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione, 17,18-Dinorcrotalanan-11,15-dione, 12-ethyl-14,19-dihydro-12,13-dihydroxy-19-methyl-, (12xi,13beta)-, 2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione,5-ethyl-4,5,8,10,12,13,13a,13b-octahydro-4,5-dihydroxy-3-(1-methylethyl)-,(5R,13aR,13bR)- (9CI)
| Molecular Formula | C18H27NO6 |
|---|---|
| Molecular Weight | 353.18 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 353.18384 |
| Heavy Atoms | 25 |
| Complexity | 588.0 |
Chemical Identifiers
| CAS Number | 14022-55-0 |
|---|---|
| SMILES | CCC1([C@@H](C(C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC1=O)C(C)C)O)O |
| InChIKey | PHBXHCOARFTKGZ-PGJZFTLKSA-N |
Product Overview
Othonnine (CAS 14022-55-0), with molecular formula C18H27NO6 and molecular weight 353.18 g/mol. IUPAC: (1R,5R,16R)-6-ethyl-5,6-dihydroxy-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione.
Chemical Property Profile of Othonnine
Property Insights of Othonnine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Othonnine. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Othonnine. Following Lipinski's Rule of Five, Othonnine 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
Frequently Asked Questions
What is the CAS number of Othonnine?
The CAS number of Othonnine is 14022-55-0.
What is the molecular formula of Othonnine?
The molecular formula of Othonnine is C18H27NO6.
What is the molecular weight of Othonnine?
The molecular weight of Othonnine is 353.18 g/mol.
Where can I buy Othonnine?
You can request a quote for Othonnine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Othonnine?
Yes, KEHONG BIO provides custom synthesis services for Othonnine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.