2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-2,2-dimethyl-3-hydroxy-4-((5-oxo-4-(phenylmethyl)-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-
TL;DR: 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-2,2-dimethyl-3-hydroxy-4-((5-oxo-4-(phenylmethyl)-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)- (CAS 154186-65-9) is a chemical compound with molecular formula C24H23N3O4 and molecular weight 417.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-benzyl-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-2,2-dimethyl-3-hydroxy-4-((5-oxo-4-(phenylmethyl)-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-, 4-[(4-Benzyl-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-benzyl-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:268355
| Molecular Formula | C24H23N3O4 |
|---|---|
| Molecular Weight | 417.17 g/mol |
| LogP | 3.13988 |
| Topological Polar Surface Area | 95.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.16885 |
| Heavy Atoms | 31 |
| Complexity | 1105.5526 |
Chemical Identifiers
| CAS Number | 154186-65-9 |
|---|---|
| SMILES | CC1(C(C(C2=C(O1)C=CC(=C2)C#N)OC3=NN(C(=O)C4C3C4)CC5=CC=CC=C5)O)C |
Product Overview
2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-2,2-dimethyl-3-hydroxy-4-((5-oxo-4-(phenylmethyl)-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)- (CAS 154186-65-9), with molecular formula C24H23N3O4 and molecular weight 417.17 g/mol. IUPAC: 4-[(4-benzyl-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-2,2-dimethyl-3-hydroxy-4-((5-oxo-4-(phenylmethyl)-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-
Property Insights of 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-2,2-dimethyl-3-hydroxy-4-((5-oxo-4-(phenylmethyl)-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-
The XLogP value of 3.13988 indicates that 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-2,2-dimethyl-3-hydroxy-4-((5-oxo-4-(phenylmethyl)-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)- 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-2,2-dimethyl-3-hydroxy-4-((5-oxo-4-(phenylmethyl)-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-. Following Lipinski's Rule of Five, 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-2,2-dimethyl-3-hydroxy-4-((5-oxo-4-(phenylmethyl)-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)- 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-2,2-dimethyl-3-hydroxy-4-((5-oxo-4-(phenylmethyl)-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-?
The CAS number of 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-2,2-dimethyl-3-hydroxy-4-((5-oxo-4-(phenylmethyl)-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)- is 154186-65-9.
What is the molecular formula of 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-2,2-dimethyl-3-hydroxy-4-((5-oxo-4-(phenylmethyl)-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-?
The molecular formula of 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-2,2-dimethyl-3-hydroxy-4-((5-oxo-4-(phenylmethyl)-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)- is C24H23N3O4.
What is the molecular weight of 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-2,2-dimethyl-3-hydroxy-4-((5-oxo-4-(phenylmethyl)-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-?
The molecular weight of 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-2,2-dimethyl-3-hydroxy-4-((5-oxo-4-(phenylmethyl)-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)- is 417.17 g/mol.
Where can I buy 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-2,2-dimethyl-3-hydroxy-4-((5-oxo-4-(phenylmethyl)-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-?
You can request a quote for 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-2,2-dimethyl-3-hydroxy-4-((5-oxo-4-(phenylmethyl)-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)- 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-2,2-dimethyl-3-hydroxy-4-((5-oxo-4-(phenylmethyl)-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-2,2-dimethyl-3-hydroxy-4-((5-oxo-4-(phenylmethyl)-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.