ethyl 4-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)benzoate
TL;DR: ethyl 4-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)benzoate (CAS 701950-28-9) is a chemical compound with molecular formula C15H14BrN3O4S and molecular weight 410.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(5-bromofuran-2-carbonyl)amino]carbamothioylamino]benzoate
Also Known As: ethyl 4-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)benzoate, ethyl 4-[[(5-bromofuran-2-carbonyl)amino]carbamothioylamino]benzoate, ethyl 4-[({[(5-bromo(2-furyl))carbonylamino]amino}thioxomethyl)amino]benzoate, ethyl 4-[({2-[(5-bromofuran-2-yl)carbonyl]hydrazinyl}carbonothioyl)amino]benzoate
| Molecular Formula | C15H14BrN3O4S |
|---|---|
| Molecular Weight | 410.99 g/mol |
| LogP | 2.8502 |
| Topological Polar Surface Area | 92.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.98883 |
| Heavy Atoms | 24 |
| Complexity | 745.4324 |
Chemical Identifiers
| CAS Number | 701950-28-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=C(O2)Br |
Product Overview
ethyl 4-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)benzoate (CAS 701950-28-9), with molecular formula C15H14BrN3O4S and molecular weight 410.99 g/mol. IUPAC: ethyl 4-[[(5-bromofuran-2-carbonyl)amino]carbamothioylamino]benzoate.
Chemical Property Profile of ethyl 4-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)benzoate
Property Insights of ethyl 4-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)benzoate
The XLogP value of 2.8502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)benzoate. The TPSA of 92.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)benzoate. Following Lipinski's Rule of Five, ethyl 4-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)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-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)benzoate?
The CAS number of ethyl 4-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)benzoate is 701950-28-9.
What is the molecular formula of ethyl 4-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)benzoate?
The molecular formula of ethyl 4-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)benzoate is C15H14BrN3O4S.
What is the molecular weight of ethyl 4-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)benzoate?
The molecular weight of ethyl 4-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)benzoate is 410.99 g/mol.
Where can I buy ethyl 4-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)benzoate?
You can request a quote for ethyl 4-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)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-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.