11H-916
TL;DR: 11H-916 (CAS 303152-94-5) is a chemical compound with molecular formula C19H21ClF3N3O5 and molecular weight 463.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]spiro[3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-carboxylate
Also Known As: 11H-916, [3-Ethoxycarbonyl-4,5-bis(hydroxymethyl)-4,5-dihydroisoxazole][1-(2-((3-chloro-5-trifluoromethyl)pyridyl)-4-piperidine]ketal, ethyl 1'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3a,4,8,8a-tetrahydrospiro[[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-carboxylate, ethyl 1'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]spiro[3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-carboxylate, Ethyl 1a(2)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3a,4,8,8a-tetrahydrospiro[[1,3]dioxepino[5,6-d]isoxazole-6,4a(2)-piperidine]-3-carboxylate
| Molecular Formula | C19H21ClF3N3O5 |
|---|---|
| Molecular Weight | 463.11 g/mol |
| LogP | 3.0312 |
| Topological Polar Surface Area | 82.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 463.11218 |
| Heavy Atoms | 31 |
| Complexity | 873.8346 |
Chemical Identifiers
| CAS Number | 303152-94-5 |
|---|---|
| SMILES | CCOC(=O)C1=NOC2C1COC3(CCN(CC3)C4=C(C=C(C=N4)C(F)(F)F)Cl)OC2 |
Product Overview
11H-916 (CAS 303152-94-5), with molecular formula C19H21ClF3N3O5 and molecular weight 463.11 g/mol. IUPAC: ethyl 1'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]spiro[3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-carboxylate.
Chemical Property Profile of 11H-916
Property Insights of 11H-916
The XLogP value of 3.0312 indicates that 11H-916 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 11H-916. Following Lipinski's Rule of Five, 11H-916 has 0 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 11H-916?
The CAS number of 11H-916 is 303152-94-5.
What is the molecular formula of 11H-916?
The molecular formula of 11H-916 is C19H21ClF3N3O5.
What is the molecular weight of 11H-916?
The molecular weight of 11H-916 is 463.11 g/mol.
Where can I buy 11H-916?
You can request a quote for 11H-916 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11H-916?
Yes, KEHONG BIO provides custom synthesis services for 11H-916 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.