![2,3,4,5,6,7-Hexahydro-1H,10H-benzo[b][1,3]benzodioxolo[5,6-d]azepin-1-one structure](/static/products/803/80348-06-7.png)
2,3,4,5,6,7-Hexahydro-1H,10H-benzo[b][1,3]benzodioxolo[5,6-d]azepin-1-one
TL;DR: 2,3,4,5,6,7-Hexahydro-1H,10H-benzo[b][1,3]benzodioxolo[5,6-d]azepin-1-one (CAS 80348-06-7) is a chemical compound with molecular formula C15H15NO3 and molecular weight 257.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14,16-dioxa-8-azatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),11,13(17)-tetraen-3-one
Also Known As: 2,3,4,5,6,7-Hexahydro-1H,10H-benzo[b][1,3]benzodioxolo[5,6-d]azepin-1-one, 14,16-Dioxa-8-azatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),11,13(17)-tetraen-3-one
| Molecular Formula | C15H15NO3 |
|---|---|
| Molecular Weight | 257.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 257.1052 |
| Heavy Atoms | 19 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 80348-06-7 |
|---|---|
| SMILES | C1CC2=C(C(=O)C1)C3=CC4=C(C=C3CCN2)OCO4 |
| InChIKey | KMFXRWIVYDSSJH-UHFFFAOYSA-N |
Product Overview
2,3,4,5,6,7-Hexahydro-1H,10H-benzo[b][1,3]benzodioxolo[5,6-d]azepin-1-one (CAS 80348-06-7), with molecular formula C15H15NO3 and molecular weight 257.11 g/mol. IUPAC: 14,16-dioxa-8-azatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),11,13(17)-tetraen-3-one.
Chemical Property Profile of 2,3,4,5,6,7-Hexahydro-1H,10H-benzo[b][1,3]benzodioxolo[5,6-d]azepin-1-one
Property Insights of 2,3,4,5,6,7-Hexahydro-1H,10H-benzo[b][1,3]benzodioxolo[5,6-d]azepin-1-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,5,6,7-Hexahydro-1H,10H-benzo[b][1,3]benzodioxolo[5,6-d]azepin-1-one. With a topological polar surface area (TPSA) of 47.6 Ų, 2,3,4,5,6,7-Hexahydro-1H,10H-benzo[b][1,3]benzodioxolo[5,6-d]azepin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5,6,7-Hexahydro-1H,10H-benzo[b][1,3]benzodioxolo[5,6-d]azepin-1-one has 1 hydrogen bond donor(s) and 4 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 2,3,4,5,6,7-Hexahydro-1H,10H-benzo[b][1,3]benzodioxolo[5,6-d]azepin-1-one?
The CAS number of 2,3,4,5,6,7-Hexahydro-1H,10H-benzo[b][1,3]benzodioxolo[5,6-d]azepin-1-one is 80348-06-7.
What is the molecular formula of 2,3,4,5,6,7-Hexahydro-1H,10H-benzo[b][1,3]benzodioxolo[5,6-d]azepin-1-one?
The molecular formula of 2,3,4,5,6,7-Hexahydro-1H,10H-benzo[b][1,3]benzodioxolo[5,6-d]azepin-1-one is C15H15NO3.
What is the molecular weight of 2,3,4,5,6,7-Hexahydro-1H,10H-benzo[b][1,3]benzodioxolo[5,6-d]azepin-1-one?
The molecular weight of 2,3,4,5,6,7-Hexahydro-1H,10H-benzo[b][1,3]benzodioxolo[5,6-d]azepin-1-one is 257.11 g/mol.
Where can I buy 2,3,4,5,6,7-Hexahydro-1H,10H-benzo[b][1,3]benzodioxolo[5,6-d]azepin-1-one?
You can request a quote for 2,3,4,5,6,7-Hexahydro-1H,10H-benzo[b][1,3]benzodioxolo[5,6-d]azepin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,5,6,7-Hexahydro-1H,10H-benzo[b][1,3]benzodioxolo[5,6-d]azepin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5,6,7-Hexahydro-1H,10H-benzo[b][1,3]benzodioxolo[5,6-d]azepin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.