![ethyl 4-(2-(3-chloro-4-fluorobenzo[b]thiophene-2-carbonyl)hydrazinecarboxamido)benzoate structure](/static/products/824/824423-89-4.png)
ethyl 4-(2-(3-chloro-4-fluorobenzo[b]thiophene-2-carbonyl)hydrazinecarboxamido)benzoate
TL;DR: ethyl 4-(2-(3-chloro-4-fluorobenzo[b]thiophene-2-carbonyl)hydrazinecarboxamido)benzoate (CAS 824423-89-4) is a chemical compound with molecular formula C19H15ClFN3O4S and molecular weight 435.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]carbamoylamino]benzoate
Also Known As: ethyl 4-(2-(3-chloro-4-fluorobenzo[b]thiophene-2-carbonyl)hydrazinecarboxamido)benzoate, ethyl 4-[[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]carbamoylamino]benzoate, Ethyl 4-[[(3-chloro-4-fluoro-benzothiophene-2-carbonyl)amino]carbamoylamino]benzoate, ethyl 4-({N-[(3-chloro-4-fluorobenzo[b]thiophen-2-yl)carbonylamino]carbamoyl}a mino)benzoate, ethyl 4-[({2-[(3-chloro-4-fluoro-1-benzothiophen-2-yl)carbonyl]hydrazinyl}carbonyl)amino]benzoate
| Molecular Formula | C19H15ClFN3O4S |
|---|---|
| Molecular Weight | 435.05 g/mol |
| LogP | 4.337 |
| Topological Polar Surface Area | 96.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.0456 |
| Heavy Atoms | 29 |
| Complexity | 1084.9978 |
Chemical Identifiers
| CAS Number | 824423-89-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)NNC(=O)C2=C(C3=C(C=CC=C3S2)F)Cl |
Product Overview
ethyl 4-(2-(3-chloro-4-fluorobenzo[b]thiophene-2-carbonyl)hydrazinecarboxamido)benzoate (CAS 824423-89-4), with molecular formula C19H15ClFN3O4S and molecular weight 435.05 g/mol. IUPAC: ethyl 4-[[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]carbamoylamino]benzoate.
Chemical Property Profile of ethyl 4-(2-(3-chloro-4-fluorobenzo[b]thiophene-2-carbonyl)hydrazinecarboxamido)benzoate
Property Insights of ethyl 4-(2-(3-chloro-4-fluorobenzo[b]thiophene-2-carbonyl)hydrazinecarboxamido)benzoate
The XLogP value of 4.337 indicates that ethyl 4-(2-(3-chloro-4-fluorobenzo[b]thiophene-2-carbonyl)hydrazinecarboxamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.53 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(2-(3-chloro-4-fluorobenzo[b]thiophene-2-carbonyl)hydrazinecarboxamido)benzoate. Following Lipinski's Rule of Five, ethyl 4-(2-(3-chloro-4-fluorobenzo[b]thiophene-2-carbonyl)hydrazinecarboxamido)benzoate has 3 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-4-fluorobenzo[b]thiophene-2-carbonyl)hydrazinecarboxamido)benzoate?
The CAS number of ethyl 4-(2-(3-chloro-4-fluorobenzo[b]thiophene-2-carbonyl)hydrazinecarboxamido)benzoate is 824423-89-4.
What is the molecular formula of ethyl 4-(2-(3-chloro-4-fluorobenzo[b]thiophene-2-carbonyl)hydrazinecarboxamido)benzoate?
The molecular formula of ethyl 4-(2-(3-chloro-4-fluorobenzo[b]thiophene-2-carbonyl)hydrazinecarboxamido)benzoate is C19H15ClFN3O4S.
What is the molecular weight of ethyl 4-(2-(3-chloro-4-fluorobenzo[b]thiophene-2-carbonyl)hydrazinecarboxamido)benzoate?
The molecular weight of ethyl 4-(2-(3-chloro-4-fluorobenzo[b]thiophene-2-carbonyl)hydrazinecarboxamido)benzoate is 435.05 g/mol.
Where can I buy ethyl 4-(2-(3-chloro-4-fluorobenzo[b]thiophene-2-carbonyl)hydrazinecarboxamido)benzoate?
You can request a quote for ethyl 4-(2-(3-chloro-4-fluorobenzo[b]thiophene-2-carbonyl)hydrazinecarboxamido)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-(2-(3-chloro-4-fluorobenzo[b]thiophene-2-carbonyl)hydrazinecarboxamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-(3-chloro-4-fluorobenzo[b]thiophene-2-carbonyl)hydrazinecarboxamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.