![3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one structure](/static/products/3694/369401-80-9.webp)
3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
TL;DR: 3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 369401-80-9) is a chemical compound with molecular formula C25H23N3O4 and molecular weight 429.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,9-dimethyl-6-[5-(3-nitrophenyl)furan-2-yl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 9,9-dimethyl-6-[5-(3-nitrophenyl)furan-2-yl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one, 3,3-dimethyl-11-(5-(3-nitrophenyl)furan-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 3,3-dimethyl-11-[5-(3-nitrophenyl)-2-furyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
| Molecular Formula | C25H23N3O4 |
|---|---|
| Molecular Weight | 429.17 g/mol |
| LogP | 6.0767 |
| Topological Polar Surface Area | 97.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 429.16885 |
| Heavy Atoms | 32 |
| Complexity | 1271.4513 |
Chemical Identifiers
| CAS Number | 369401-80-9 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)C1)C |
Product Overview
3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 369401-80-9), with molecular formula C25H23N3O4 and molecular weight 429.17 g/mol. IUPAC: 9,9-dimethyl-6-[5-(3-nitrophenyl)furan-2-yl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Property Insights of 3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
The XLogP value of 6.0767 indicates that 3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one. Following Lipinski's Rule of Five, 3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The CAS number of 3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 369401-80-9.
What is the molecular formula of 3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular formula of 3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is C25H23N3O4.
What is the molecular weight of 3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular weight of 3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 429.17 g/mol.
Where can I buy 3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
You can request a quote for 3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,5,10,11-hexahydro-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-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.