![Ethyl 4-[(2E)-2-(chloro-boc-methylidene)hydrazinyl]benzoate structure](/static/products/9672/96722-59-7.webp)
Ethyl 4-[(2E)-2-(chloro-boc-methylidene)hydrazinyl]benzoate
TL;DR: Ethyl 4-[(2E)-2-(chloro-boc-methylidene)hydrazinyl]benzoate (CAS 96722-59-7) is a chemical compound with molecular formula C15H19ClN2O4 and molecular weight 326.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[1-chloro-2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]hydrazinyl]benzoate
Also Known As: ETHYL 4-[(2E)-2-(CHLORO-BOC-METHYLIDENE)HYDRAZINYL]BENZOATE, Benzoic Acid, 4-((1-chloro-2-(1,1-dimethylethoxy)-2-oxoethylidene)hydrazino)-, Ethyl Ester
| Molecular Formula | C15H19ClN2O4 |
|---|---|
| Molecular Weight | 326.10 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 77.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 326.10333 |
| Heavy Atoms | 22 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 96722-59-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NN=C(C(=O)OC(C)(C)C)Cl |
| InChIKey | VXCKLHDXOIYAPU-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[(2E)-2-(chloro-boc-methylidene)hydrazinyl]benzoate (CAS 96722-59-7), with molecular formula C15H19ClN2O4 and molecular weight 326.10 g/mol. IUPAC: ethyl 4-[2-[1-chloro-2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]hydrazinyl]benzoate.
Chemical Property Profile of Ethyl 4-[(2E)-2-(chloro-boc-methylidene)hydrazinyl]benzoate
Property Insights of Ethyl 4-[(2E)-2-(chloro-boc-methylidene)hydrazinyl]benzoate
The XLogP value of 5.0 indicates that Ethyl 4-[(2E)-2-(chloro-boc-methylidene)hydrazinyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(2E)-2-(chloro-boc-methylidene)hydrazinyl]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[(2E)-2-(chloro-boc-methylidene)hydrazinyl]benzoate 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 Ethyl 4-[(2E)-2-(chloro-boc-methylidene)hydrazinyl]benzoate?
The CAS number of Ethyl 4-[(2E)-2-(chloro-boc-methylidene)hydrazinyl]benzoate is 96722-59-7.
What is the molecular formula of Ethyl 4-[(2E)-2-(chloro-boc-methylidene)hydrazinyl]benzoate?
The molecular formula of Ethyl 4-[(2E)-2-(chloro-boc-methylidene)hydrazinyl]benzoate is C15H19ClN2O4.
What is the molecular weight of Ethyl 4-[(2E)-2-(chloro-boc-methylidene)hydrazinyl]benzoate?
The molecular weight of Ethyl 4-[(2E)-2-(chloro-boc-methylidene)hydrazinyl]benzoate is 326.10 g/mol.
Where can I buy Ethyl 4-[(2E)-2-(chloro-boc-methylidene)hydrazinyl]benzoate?
You can request a quote for Ethyl 4-[(2E)-2-(chloro-boc-methylidene)hydrazinyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(2E)-2-(chloro-boc-methylidene)hydrazinyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(2E)-2-(chloro-boc-methylidene)hydrazinyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.