![Ethyl 4-{2-[(3-chloro-1-benzothien-2-yl)carbonyl]hydrazino}-4-oxo-2-butenoate structure](/static/products/349/349625-58-7.png)
Ethyl 4-{2-[(3-chloro-1-benzothien-2-yl)carbonyl]hydrazino}-4-oxo-2-butenoate
TL;DR: Ethyl 4-{2-[(3-chloro-1-benzothien-2-yl)carbonyl]hydrazino}-4-oxo-2-butenoate (CAS 349625-58-7) is a chemical compound with molecular formula C15H13ClN2O4S and molecular weight 352.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-4-[2-(3-chloro-1-benzothiophene-2-carbonyl)hydrazinyl]-4-oxobut-2-enoate
Also Known As: SDCCGSBI-0660253.P001, ethyl 4-{2-[(3-chloro-1-benzothien-2-yl)carbonyl]hydrazino}-4-oxo-2-butenoate, F3145-4620, (E)-ethyl 4-(2-(3-chlorobenzo[b]thiophene-2-carbonyl)hydrazinyl)-4-oxobut-2-enoate, ethyl (2E)-4-{2-[(3-chloro-1-benzothiophen-2-yl)carbonyl]hydrazinyl}-4-oxobut-2-enoate
| Molecular Formula | C15H13ClN2O4S |
|---|---|
| Molecular Weight | 352.03 g/mol |
| LogP | 2.435 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.02844 |
| Heavy Atoms | 23 |
| Complexity | 784.8749 |
Chemical Identifiers
| CAS Number | 349625-58-7 |
|---|---|
| SMILES | CCOC(=O)/C=C/C(=O)NNC(=O)C1=C(C2=CC=CC=C2S1)Cl |
Product Overview
Ethyl 4-{2-[(3-chloro-1-benzothien-2-yl)carbonyl]hydrazino}-4-oxo-2-butenoate (CAS 349625-58-7), with molecular formula C15H13ClN2O4S and molecular weight 352.03 g/mol. IUPAC: ethyl (E)-4-[2-(3-chloro-1-benzothiophene-2-carbonyl)hydrazinyl]-4-oxobut-2-enoate.
Chemical Property Profile of Ethyl 4-{2-[(3-chloro-1-benzothien-2-yl)carbonyl]hydrazino}-4-oxo-2-butenoate
Property Insights of Ethyl 4-{2-[(3-chloro-1-benzothien-2-yl)carbonyl]hydrazino}-4-oxo-2-butenoate
The XLogP value of 2.435 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{2-[(3-chloro-1-benzothien-2-yl)carbonyl]hydrazino}-4-oxo-2-butenoate. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{2-[(3-chloro-1-benzothien-2-yl)carbonyl]hydrazino}-4-oxo-2-butenoate. Following Lipinski's Rule of Five, Ethyl 4-{2-[(3-chloro-1-benzothien-2-yl)carbonyl]hydrazino}-4-oxo-2-butenoate 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
Frequently Asked Questions
What is the CAS number of Ethyl 4-{2-[(3-chloro-1-benzothien-2-yl)carbonyl]hydrazino}-4-oxo-2-butenoate?
The CAS number of Ethyl 4-{2-[(3-chloro-1-benzothien-2-yl)carbonyl]hydrazino}-4-oxo-2-butenoate is 349625-58-7.
What is the molecular formula of Ethyl 4-{2-[(3-chloro-1-benzothien-2-yl)carbonyl]hydrazino}-4-oxo-2-butenoate?
The molecular formula of Ethyl 4-{2-[(3-chloro-1-benzothien-2-yl)carbonyl]hydrazino}-4-oxo-2-butenoate is C15H13ClN2O4S.
What is the molecular weight of Ethyl 4-{2-[(3-chloro-1-benzothien-2-yl)carbonyl]hydrazino}-4-oxo-2-butenoate?
The molecular weight of Ethyl 4-{2-[(3-chloro-1-benzothien-2-yl)carbonyl]hydrazino}-4-oxo-2-butenoate is 352.03 g/mol.
Where can I buy Ethyl 4-{2-[(3-chloro-1-benzothien-2-yl)carbonyl]hydrazino}-4-oxo-2-butenoate?
You can request a quote for Ethyl 4-{2-[(3-chloro-1-benzothien-2-yl)carbonyl]hydrazino}-4-oxo-2-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-{2-[(3-chloro-1-benzothien-2-yl)carbonyl]hydrazino}-4-oxo-2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{2-[(3-chloro-1-benzothien-2-yl)carbonyl]hydrazino}-4-oxo-2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.