3,5-dimethyl-N-(7-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-4-isoxazolecarboxamide
TL;DR: 3,5-dimethyl-N-(7-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-4-isoxazolecarboxamide (CAS 866156-15-2) is a chemical compound with molecular formula C20H17N3O4 and molecular weight 363.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-N-(2-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-1,2-oxazole-4-carboxamide
Also Known As: 3,5-dimethyl-N-(7-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-4-isoxazolecarboxamide, 3,5-dimethyl-N-(2-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-1,2-oxazole-4-carboxamide, 3,5-dimethyl-N-{5-methyl-10-oxo-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-13-yl}-1,2-oxazole-4-carboxamide, 3,5-dimethyl-N-{5-methyl-10-oxo-2-oxa-9-azatricyclo[9.4.0.0(3),?]pentadeca-1(11),3(8),4,6,12,14-hexaen-13-yl}-1,2-oxazole-4-carboxamide
| Molecular Formula | C20H17N3O4 |
|---|---|
| Molecular Weight | 363.12 g/mol |
| LogP | 4.21016 |
| Topological Polar Surface Area | 93.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 363.12192 |
| Heavy Atoms | 27 |
| Complexity | 1065.326 |
Chemical Identifiers
| CAS Number | 866156-15-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(=O)C3=C(O2)C=CC(=C3)NC(=O)C4=C(ON=C4C)C |
Product Overview
3,5-dimethyl-N-(7-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-4-isoxazolecarboxamide (CAS 866156-15-2), with molecular formula C20H17N3O4 and molecular weight 363.12 g/mol. IUPAC: 3,5-dimethyl-N-(2-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-1,2-oxazole-4-carboxamide.
Chemical Property Profile of 3,5-dimethyl-N-(7-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-4-isoxazolecarboxamide
Property Insights of 3,5-dimethyl-N-(7-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-4-isoxazolecarboxamide
The XLogP value of 4.21016 indicates that 3,5-dimethyl-N-(7-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-4-isoxazolecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-dimethyl-N-(7-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-4-isoxazolecarboxamide. Following Lipinski's Rule of Five, 3,5-dimethyl-N-(7-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-4-isoxazolecarboxamide has 2 hydrogen bond donor(s) and 5 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 3,5-dimethyl-N-(7-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-4-isoxazolecarboxamide?
The CAS number of 3,5-dimethyl-N-(7-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-4-isoxazolecarboxamide is 866156-15-2.
What is the molecular formula of 3,5-dimethyl-N-(7-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-4-isoxazolecarboxamide?
The molecular formula of 3,5-dimethyl-N-(7-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-4-isoxazolecarboxamide is C20H17N3O4.
What is the molecular weight of 3,5-dimethyl-N-(7-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-4-isoxazolecarboxamide?
The molecular weight of 3,5-dimethyl-N-(7-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-4-isoxazolecarboxamide is 363.12 g/mol.
Where can I buy 3,5-dimethyl-N-(7-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-4-isoxazolecarboxamide?
You can request a quote for 3,5-dimethyl-N-(7-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-4-isoxazolecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-dimethyl-N-(7-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-4-isoxazolecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dimethyl-N-(7-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-4-isoxazolecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.