9H-(1,3)Dioxolo(4,5-h)pyrimido(1,6-d)(1,4)benzoxazepin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)-
TL;DR: 9H-(1,3)Dioxolo(4,5-h)pyrimido(1,6-d)(1,4)benzoxazepin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)- (CAS 108446-05-5) is a chemical compound with molecular formula C24H26ClN3O4 and molecular weight 455.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,8-dimethyl-4-(2,4,6-trimethylphenyl)imino-10,14,16-trioxa-5,7-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2,11,13(17)-tetraen-6-one;hydrochloride
Also Known As: 9H-(1,3)Dioxolo(4,5-h)pyrimido(1,6-d)(1,4)benzoxazepin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)-
| Molecular Formula | C24H26ClN3O4 |
|---|---|
| Molecular Weight | 455.16 g/mol |
| LogP | 4.11536 |
| Topological Polar Surface Area | 66.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 455.1612 |
| Heavy Atoms | 32 |
| Complexity | 1333.5662 |
Chemical Identifiers
| CAS Number | 108446-05-5 |
|---|---|
| SMILES | CC1COC2=CC3=C(C=C2C4=CC(=NC5=C(C=C(C=C5C)C)C)N(C(=O)N14)C)OCO3.Cl |
Product Overview
9H-(1,3)Dioxolo(4,5-h)pyrimido(1,6-d)(1,4)benzoxazepin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)- (CAS 108446-05-5), with molecular formula C24H26ClN3O4 and molecular weight 455.16 g/mol. IUPAC: 5,8-dimethyl-4-(2,4,6-trimethylphenyl)imino-10,14,16-trioxa-5,7-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2,11,13(17)-tetraen-6-one;hydrochloride.
Chemical Property Profile of 9H-(1,3)Dioxolo(4,5-h)pyrimido(1,6-d)(1,4)benzoxazepin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)-
Property Insights of 9H-(1,3)Dioxolo(4,5-h)pyrimido(1,6-d)(1,4)benzoxazepin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)-
The XLogP value of 4.11536 indicates that 9H-(1,3)Dioxolo(4,5-h)pyrimido(1,6-d)(1,4)benzoxazepin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-(1,3)Dioxolo(4,5-h)pyrimido(1,6-d)(1,4)benzoxazepin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)-. Following Lipinski's Rule of Five, 9H-(1,3)Dioxolo(4,5-h)pyrimido(1,6-d)(1,4)benzoxazepin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)- has 0 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 9H-(1,3)Dioxolo(4,5-h)pyrimido(1,6-d)(1,4)benzoxazepin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)-?
The CAS number of 9H-(1,3)Dioxolo(4,5-h)pyrimido(1,6-d)(1,4)benzoxazepin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)- is 108446-05-5.
What is the molecular formula of 9H-(1,3)Dioxolo(4,5-h)pyrimido(1,6-d)(1,4)benzoxazepin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)-?
The molecular formula of 9H-(1,3)Dioxolo(4,5-h)pyrimido(1,6-d)(1,4)benzoxazepin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)- is C24H26ClN3O4.
What is the molecular weight of 9H-(1,3)Dioxolo(4,5-h)pyrimido(1,6-d)(1,4)benzoxazepin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)-?
The molecular weight of 9H-(1,3)Dioxolo(4,5-h)pyrimido(1,6-d)(1,4)benzoxazepin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)- is 455.16 g/mol.
Where can I buy 9H-(1,3)Dioxolo(4,5-h)pyrimido(1,6-d)(1,4)benzoxazepin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)-?
You can request a quote for 9H-(1,3)Dioxolo(4,5-h)pyrimido(1,6-d)(1,4)benzoxazepin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-(1,3)Dioxolo(4,5-h)pyrimido(1,6-d)(1,4)benzoxazepin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)-?
Yes, KEHONG BIO provides custom synthesis services for 9H-(1,3)Dioxolo(4,5-h)pyrimido(1,6-d)(1,4)benzoxazepin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.