![4-{1-hydroxy-3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid structure](/static/products/675/675153-51-2.png)
4-{1-hydroxy-3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid
TL;DR: 4-{1-hydroxy-3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid (CAS 675153-51-2) is a chemical compound with molecular formula C29H27N3O7 and molecular weight 529.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[9,9-dimethyl-6-[5-(3-nitrophenyl)furan-2-yl]-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid
Also Known As: 4-{1-hydroxy-3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid, 4-(1-hydroxy-3,3-dimethyl-11-(5-(3-nitrophenyl)furan-2-yl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)-4-oxobutanoic acid, 4-[9,9-dimethyl-6-[5-(3-nitrophenyl)furan-2-yl]-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid
| Molecular Formula | C29H27N3O7 |
|---|---|
| Molecular Weight | 529.18 g/mol |
| LogP | 5.8626 |
| Topological Polar Surface Area | 142.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 529.1849 |
| Heavy Atoms | 39 |
| Complexity | 1534.8331 |
Chemical Identifiers
| CAS Number | 675153-51-2 |
|---|---|
| SMILES | CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)CCC(=O)O)C4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)C1)C |
Product Overview
4-{1-hydroxy-3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid (CAS 675153-51-2), with molecular formula C29H27N3O7 and molecular weight 529.18 g/mol. IUPAC: 4-[9,9-dimethyl-6-[5-(3-nitrophenyl)furan-2-yl]-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid.
Chemical Property Profile of 4-{1-hydroxy-3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid
Property Insights of 4-{1-hydroxy-3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid
The XLogP value of 5.8626 indicates that 4-{1-hydroxy-3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.99 Ų indicates high polarity, suggesting 4-{1-hydroxy-3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-{1-hydroxy-3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-{1-hydroxy-3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid?
The CAS number of 4-{1-hydroxy-3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid is 675153-51-2.
What is the molecular formula of 4-{1-hydroxy-3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid?
The molecular formula of 4-{1-hydroxy-3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid is C29H27N3O7.
What is the molecular weight of 4-{1-hydroxy-3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid?
The molecular weight of 4-{1-hydroxy-3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid is 529.18 g/mol.
Where can I buy 4-{1-hydroxy-3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid?
You can request a quote for 4-{1-hydroxy-3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{1-hydroxy-3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{1-hydroxy-3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.