![1-Oxo-1-(5,8,9,10-tetrahydro-2H,6H-[1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-11-yl)propan-2-yl acetate structure](/static/products/3884/38848-22-5.webp)
1-Oxo-1-(5,8,9,10-tetrahydro-2H,6H-[1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-11-yl)propan-2-yl acetate
TL;DR: 1-Oxo-1-(5,8,9,10-tetrahydro-2H,6H-[1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-11-yl)propan-2-yl acetate (CAS 38848-22-5) is a chemical compound with molecular formula C19H21NO5 and molecular weight 343.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(13,15-dioxa-7-azatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),2,10,12(16)-tetraen-2-yl)-1-oxopropan-2-yl] acetate
Also Known As: 1-Oxo-1-(5,8,9,10-tetrahydro-2H,6H-[1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-11-yl)propan-2-yl acetate, 2-acetoxy-1-(5,8,9,10-tetrahydro-6H-[1,3]dioxolo[4',5':4,5]b
| Molecular Formula | C19H21NO5 |
|---|---|
| Molecular Weight | 343.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.14197 |
| Heavy Atoms | 25 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 38848-22-5 |
|---|---|
| SMILES | CC(C(=O)C1=C2CCCN2CCC3=CC4=C(C=C31)OCO4)OC(=O)C |
| InChIKey | LZYFJRBYPJEINJ-UHFFFAOYSA-N |
Product Overview
1-Oxo-1-(5,8,9,10-tetrahydro-2H,6H-[1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-11-yl)propan-2-yl acetate (CAS 38848-22-5), with molecular formula C19H21NO5 and molecular weight 343.14 g/mol. IUPAC: [1-(13,15-dioxa-7-azatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),2,10,12(16)-tetraen-2-yl)-1-oxopropan-2-yl] acetate.
Chemical Property Profile of 1-Oxo-1-(5,8,9,10-tetrahydro-2H,6H-[1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-11-yl)propan-2-yl acetate
Property Insights of 1-Oxo-1-(5,8,9,10-tetrahydro-2H,6H-[1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-11-yl)propan-2-yl acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Oxo-1-(5,8,9,10-tetrahydro-2H,6H-[1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-11-yl)propan-2-yl acetate. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Oxo-1-(5,8,9,10-tetrahydro-2H,6H-[1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-11-yl)propan-2-yl acetate. Following Lipinski's Rule of Five, 1-Oxo-1-(5,8,9,10-tetrahydro-2H,6H-[1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-11-yl)propan-2-yl acetate has 0 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 1-Oxo-1-(5,8,9,10-tetrahydro-2H,6H-[1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-11-yl)propan-2-yl acetate?
The CAS number of 1-Oxo-1-(5,8,9,10-tetrahydro-2H,6H-[1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-11-yl)propan-2-yl acetate is 38848-22-5.
What is the molecular formula of 1-Oxo-1-(5,8,9,10-tetrahydro-2H,6H-[1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-11-yl)propan-2-yl acetate?
The molecular formula of 1-Oxo-1-(5,8,9,10-tetrahydro-2H,6H-[1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-11-yl)propan-2-yl acetate is C19H21NO5.
What is the molecular weight of 1-Oxo-1-(5,8,9,10-tetrahydro-2H,6H-[1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-11-yl)propan-2-yl acetate?
The molecular weight of 1-Oxo-1-(5,8,9,10-tetrahydro-2H,6H-[1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-11-yl)propan-2-yl acetate is 343.14 g/mol.
Where can I buy 1-Oxo-1-(5,8,9,10-tetrahydro-2H,6H-[1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-11-yl)propan-2-yl acetate?
You can request a quote for 1-Oxo-1-(5,8,9,10-tetrahydro-2H,6H-[1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-11-yl)propan-2-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Oxo-1-(5,8,9,10-tetrahydro-2H,6H-[1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-11-yl)propan-2-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Oxo-1-(5,8,9,10-tetrahydro-2H,6H-[1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-11-yl)propan-2-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.