Dimethyl 2-(benzoylhydrazinylidene)butanedioate
TL;DR: Dimethyl 2-(benzoylhydrazinylidene)butanedioate (CAS 16135-18-5) is a chemical compound with molecular formula C13H14N2O5 and molecular weight 278.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(benzoylhydrazinylidene)butanedioate
Also Known As: dimethyl 2-(benzoylhydrazinylidene)butanedioate, dimethyl (2E)-2-(benzoylhydrazinylidene)butanedioate
| Molecular Formula | C13H14N2O5 |
|---|---|
| Molecular Weight | 278.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 94.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 278.09027 |
| Heavy Atoms | 20 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 16135-18-5 |
|---|---|
| SMILES | COC(=O)CC(=NNC(=O)C1=CC=CC=C1)C(=O)OC |
| InChIKey | GXKLFYMLSUVTKL-UHFFFAOYSA-N |
Product Overview
Dimethyl 2-(benzoylhydrazinylidene)butanedioate (CAS 16135-18-5), with molecular formula C13H14N2O5 and molecular weight 278.09 g/mol. IUPAC: dimethyl 2-(benzoylhydrazinylidene)butanedioate.
Chemical Property Profile of Dimethyl 2-(benzoylhydrazinylidene)butanedioate
Property Insights of Dimethyl 2-(benzoylhydrazinylidene)butanedioate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-(benzoylhydrazinylidene)butanedioate. The TPSA of 94.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-(benzoylhydrazinylidene)butanedioate. Following Lipinski's Rule of Five, Dimethyl 2-(benzoylhydrazinylidene)butanedioate 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 Dimethyl 2-(benzoylhydrazinylidene)butanedioate?
The CAS number of Dimethyl 2-(benzoylhydrazinylidene)butanedioate is 16135-18-5.
What is the molecular formula of Dimethyl 2-(benzoylhydrazinylidene)butanedioate?
The molecular formula of Dimethyl 2-(benzoylhydrazinylidene)butanedioate is C13H14N2O5.
What is the molecular weight of Dimethyl 2-(benzoylhydrazinylidene)butanedioate?
The molecular weight of Dimethyl 2-(benzoylhydrazinylidene)butanedioate is 278.09 g/mol.
Where can I buy Dimethyl 2-(benzoylhydrazinylidene)butanedioate?
You can request a quote for Dimethyl 2-(benzoylhydrazinylidene)butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-(benzoylhydrazinylidene)butanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(benzoylhydrazinylidene)butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.