![3,3-dimethyl-9-propanoyl-2,3,4,10-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one structure](/static/products/5239/523992-17-8.webp)
3,3-dimethyl-9-propanoyl-2,3,4,10-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
TL;DR: 3,3-dimethyl-9-propanoyl-2,3,4,10-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 523992-17-8) is a chemical compound with molecular formula C18H20N2O2 and molecular weight 296.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,9-dimethyl-4-propanoyl-10,11-dihydro-8H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 3,3-dimethyl-9-propanoyl-2,3,4,10-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 3,3-dimethyl-9-propionyl-2,3,4,10-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 1-(1-hydroxy-3,3-dimethyl-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-9-yl)propan-1-one, 3,3-dimethyl-9-propanoyl-2,3,4-trihydro-10H-benzo[b]benzo[1,2-e]1,4-diazepin-1 -one, 9,9-dimethyl-4-propanoyl-10,11-dihydro-8H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C18H20N2O2 |
|---|---|
| Molecular Weight | 296.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 58.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.15247 |
| Heavy Atoms | 22 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 523992-17-8 |
|---|---|
| SMILES | CCC(=O)C1=C2C(=CC=C1)NC3=C(C=N2)C(=O)CC(C3)(C)C |
| InChIKey | SWBSRZHHAGZGAQ-UHFFFAOYSA-N |
Product Overview
3,3-dimethyl-9-propanoyl-2,3,4,10-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 523992-17-8), with molecular formula C18H20N2O2 and molecular weight 296.15 g/mol. IUPAC: 9,9-dimethyl-4-propanoyl-10,11-dihydro-8H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 3,3-dimethyl-9-propanoyl-2,3,4,10-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Property Insights of 3,3-dimethyl-9-propanoyl-2,3,4,10-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-dimethyl-9-propanoyl-2,3,4,10-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one. With a topological polar surface area (TPSA) of 58.5 Ų, 3,3-dimethyl-9-propanoyl-2,3,4,10-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-dimethyl-9-propanoyl-2,3,4,10-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-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 3,3-dimethyl-9-propanoyl-2,3,4,10-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The CAS number of 3,3-dimethyl-9-propanoyl-2,3,4,10-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 523992-17-8.
What is the molecular formula of 3,3-dimethyl-9-propanoyl-2,3,4,10-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular formula of 3,3-dimethyl-9-propanoyl-2,3,4,10-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is C18H20N2O2.
What is the molecular weight of 3,3-dimethyl-9-propanoyl-2,3,4,10-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular weight of 3,3-dimethyl-9-propanoyl-2,3,4,10-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 296.15 g/mol.
Where can I buy 3,3-dimethyl-9-propanoyl-2,3,4,10-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
You can request a quote for 3,3-dimethyl-9-propanoyl-2,3,4,10-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-dimethyl-9-propanoyl-2,3,4,10-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-dimethyl-9-propanoyl-2,3,4,10-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.