methyl (2E)-2-(7-chloro-3,5-dioxo-1H-1,4-benzodiazepin-2-ylidene)acetate
TL;DR: methyl (2E)-2-(7-chloro-3,5-dioxo-1H-1,4-benzodiazepin-2-ylidene)acetate (CAS 13214-23-8) is a chemical compound with molecular formula C12H9ClN2O4 and molecular weight 280.0251 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2E)-2-(7-chloro-3,5-dioxo-1H-1,4-benzodiazepin-2-ylidene)acetate
Also Known As: methyl (2E)-2-(7-chloro-3,5-dioxo-1H-1,4-benzodiazepin-2-ylidene)acetate, Methyl (2E)-(7-chloro-3,5-dioxo-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-ylidene)acetate
Technical Specifications
| Molecular Formula | C12H9ClN2O4 |
| Molecular Weight | 280.0251 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.0251 Da |
| Heavy Atoms | 19 |
| Complexity | 449.0 |
| SMILES | COC(=O)/C=C/1\C(=O)NC(=O)C2=C(N1)C=CC(=C2)Cl |
| InChIKey | GPYLFWJNNWMQJA-WEVVVXLNSA-N |
Chemical Property Profile of methyl (2E)-2-(7-chloro-3,5-dioxo-1H-1,4-benzodiazepin-2-ylidene)acetate
Property Insights of methyl (2E)-2-(7-chloro-3,5-dioxo-1H-1,4-benzodiazepin-2-ylidene)acetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2E)-2-(7-chloro-3,5-dioxo-1H-1,4-benzodiazepin-2-ylidene)acetate. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2E)-2-(7-chloro-3,5-dioxo-1H-1,4-benzodiazepin-2-ylidene)acetate. Following Lipinski's Rule of Five, methyl (2E)-2-(7-chloro-3,5-dioxo-1H-1,4-benzodiazepin-2-ylidene)acetate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of methyl (2E)-2-(7-chloro-3,5-dioxo-1H-1,4-benzodiazepin-2-ylidene)acetate?
The CAS number of methyl (2E)-2-(7-chloro-3,5-dioxo-1H-1,4-benzodiazepin-2-ylidene)acetate is 13214-23-8.
What is the molecular formula of methyl (2E)-2-(7-chloro-3,5-dioxo-1H-1,4-benzodiazepin-2-ylidene)acetate?
The molecular formula of methyl (2E)-2-(7-chloro-3,5-dioxo-1H-1,4-benzodiazepin-2-ylidene)acetate is C12H9ClN2O4.
What is the molecular weight of methyl (2E)-2-(7-chloro-3,5-dioxo-1H-1,4-benzodiazepin-2-ylidene)acetate?
The molecular weight of methyl (2E)-2-(7-chloro-3,5-dioxo-1H-1,4-benzodiazepin-2-ylidene)acetate is 280.0251 g/mol.
Where can I buy methyl (2E)-2-(7-chloro-3,5-dioxo-1H-1,4-benzodiazepin-2-ylidene)acetate?
You can request a quote for methyl (2E)-2-(7-chloro-3,5-dioxo-1H-1,4-benzodiazepin-2-ylidene)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl (2E)-2-(7-chloro-3,5-dioxo-1H-1,4-benzodiazepin-2-ylidene)acetate?
Yes, CoreyChem provides custom synthesis services for methyl (2E)-2-(7-chloro-3,5-dioxo-1H-1,4-benzodiazepin-2-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.