2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-4-((4-((2-chlorophenyl)methyl)-5-oxo-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-2,2-dimethyl-3-hydroxy-
TL;DR: 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-4-((4-((2-chlorophenyl)methyl)-5-oxo-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-2,2-dimethyl-3-hydroxy- (CAS 154186-97-7) is a chemical compound with molecular formula C24H22ClN3O4 and molecular weight 451.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[(2-chlorophenyl)methyl]-5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl]oxy]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
Also Known As: 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-4-((4-((2-chlorophenyl)methyl)-5-oxo-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-2,2-dimethyl-3-hydroxy-, 4-({4-[(2-Chlorophenyl)methyl]-5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl}oxy)-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile, 4-[[4-[(2-chlorophenyl)methyl]-5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl]oxy]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile, RefChem:268356
| Molecular Formula | C24H22ClN3O4 |
|---|---|
| Molecular Weight | 451.13 g/mol |
| LogP | 3.79328 |
| Topological Polar Surface Area | 95.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 451.12988 |
| Heavy Atoms | 32 |
| Complexity | 1172.0746 |
Chemical Identifiers
| CAS Number | 154186-97-7 |
|---|---|
| SMILES | CC1(C(C(C2=C(O1)C=CC(=C2)C#N)OC3=NN(C(=O)C4C3C4)CC5=CC=CC=C5Cl)O)C |
Product Overview
2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-4-((4-((2-chlorophenyl)methyl)-5-oxo-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-2,2-dimethyl-3-hydroxy- (CAS 154186-97-7), with molecular formula C24H22ClN3O4 and molecular weight 451.13 g/mol. IUPAC: 4-[[4-[(2-chlorophenyl)methyl]-5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl]oxy]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile.
Chemical Property Profile of 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-4-((4-((2-chlorophenyl)methyl)-5-oxo-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-2,2-dimethyl-3-hydroxy-
Property Insights of 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-4-((4-((2-chlorophenyl)methyl)-5-oxo-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-2,2-dimethyl-3-hydroxy-
The XLogP value of 3.79328 indicates that 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-4-((4-((2-chlorophenyl)methyl)-5-oxo-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-2,2-dimethyl-3-hydroxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-4-((4-((2-chlorophenyl)methyl)-5-oxo-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-2,2-dimethyl-3-hydroxy-. Following Lipinski's Rule of Five, 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-4-((4-((2-chlorophenyl)methyl)-5-oxo-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-2,2-dimethyl-3-hydroxy- has 1 hydrogen bond donor(s) and 6 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 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-4-((4-((2-chlorophenyl)methyl)-5-oxo-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-2,2-dimethyl-3-hydroxy-?
The CAS number of 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-4-((4-((2-chlorophenyl)methyl)-5-oxo-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-2,2-dimethyl-3-hydroxy- is 154186-97-7.
What is the molecular formula of 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-4-((4-((2-chlorophenyl)methyl)-5-oxo-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-2,2-dimethyl-3-hydroxy-?
The molecular formula of 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-4-((4-((2-chlorophenyl)methyl)-5-oxo-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-2,2-dimethyl-3-hydroxy- is C24H22ClN3O4.
What is the molecular weight of 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-4-((4-((2-chlorophenyl)methyl)-5-oxo-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-2,2-dimethyl-3-hydroxy-?
The molecular weight of 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-4-((4-((2-chlorophenyl)methyl)-5-oxo-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-2,2-dimethyl-3-hydroxy- is 451.13 g/mol.
Where can I buy 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-4-((4-((2-chlorophenyl)methyl)-5-oxo-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-2,2-dimethyl-3-hydroxy-?
You can request a quote for 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-4-((4-((2-chlorophenyl)methyl)-5-oxo-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-2,2-dimethyl-3-hydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-4-((4-((2-chlorophenyl)methyl)-5-oxo-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-2,2-dimethyl-3-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-4-((4-((2-chlorophenyl)methyl)-5-oxo-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-2,2-dimethyl-3-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.