![1-{1-hydroxy-3,3-dimethyl-11-[5-(2-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}hexan-1-one structure](/static/products/406/406914-50-9.png)
1-{1-hydroxy-3,3-dimethyl-11-[5-(2-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}hexan-1-one
TL;DR: 1-{1-hydroxy-3,3-dimethyl-11-[5-(2-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}hexan-1-one (CAS 406914-50-9) is a chemical compound with molecular formula C31H33N3O5 and molecular weight 527.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hexanoyl-9,9-dimethyl-6-[5-(2-nitrophenyl)furan-2-yl]-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: 1-{1-hydroxy-3,3-dimethyl-11-[5-(2-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}hexan-1-one, 10-hexanoyl-3,3-dimethyl-11-(5-(2-nitrophenyl)furan-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 10-HEXANOYL-3,3-DIMETHYL-11-[5-(2-NITROPHENYL)-2-FURYL]-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE, 10-hexanoyl-3,3-dimethyl-11-[5-(2-nitrophenyl)furan-2-yl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 5-hexanoyl-9,9-dimethyl-6-[5-(2-nitrophenyl)furan-2-yl]-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C31H33N3O5 |
|---|---|
| Molecular Weight | 527.24 g/mol |
| LogP | 7.5781 |
| Topological Polar Surface Area | 105.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 527.242 |
| Heavy Atoms | 39 |
| Complexity | 1468.1123 |
Chemical Identifiers
| CAS Number | 406914-50-9 |
|---|---|
| SMILES | CCCCCC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(O4)C5=CC=CC=C5[N+](=O)[O-] |
Product Overview
1-{1-hydroxy-3,3-dimethyl-11-[5-(2-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}hexan-1-one (CAS 406914-50-9), with molecular formula C31H33N3O5 and molecular weight 527.24 g/mol. IUPAC: 5-hexanoyl-9,9-dimethyl-6-[5-(2-nitrophenyl)furan-2-yl]-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 1-{1-hydroxy-3,3-dimethyl-11-[5-(2-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}hexan-1-one
Property Insights of 1-{1-hydroxy-3,3-dimethyl-11-[5-(2-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}hexan-1-one
The XLogP value of 7.5781 indicates that 1-{1-hydroxy-3,3-dimethyl-11-[5-(2-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}hexan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{1-hydroxy-3,3-dimethyl-11-[5-(2-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}hexan-1-one. Following Lipinski's Rule of Five, 1-{1-hydroxy-3,3-dimethyl-11-[5-(2-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}hexan-1-one has 1 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 1-{1-hydroxy-3,3-dimethyl-11-[5-(2-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}hexan-1-one?
The CAS number of 1-{1-hydroxy-3,3-dimethyl-11-[5-(2-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}hexan-1-one is 406914-50-9.
What is the molecular formula of 1-{1-hydroxy-3,3-dimethyl-11-[5-(2-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}hexan-1-one?
The molecular formula of 1-{1-hydroxy-3,3-dimethyl-11-[5-(2-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}hexan-1-one is C31H33N3O5.
What is the molecular weight of 1-{1-hydroxy-3,3-dimethyl-11-[5-(2-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}hexan-1-one?
The molecular weight of 1-{1-hydroxy-3,3-dimethyl-11-[5-(2-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}hexan-1-one is 527.24 g/mol.
Where can I buy 1-{1-hydroxy-3,3-dimethyl-11-[5-(2-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}hexan-1-one?
You can request a quote for 1-{1-hydroxy-3,3-dimethyl-11-[5-(2-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}hexan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{1-hydroxy-3,3-dimethyl-11-[5-(2-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}hexan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-{1-hydroxy-3,3-dimethyl-11-[5-(2-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}hexan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.