methyl 2-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate
TL;DR: methyl 2-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate (CAS 590352-70-8) is a chemical compound with molecular formula C18H14BrN3O4S2 and molecular weight 478.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(5-bromofuran-2-carbonyl)amino]carbamothioylamino]-5-phenylthiophene-3-carboxylate
Also Known As: methyl 2-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate, methyl 2-[({[(5-bromo(2-furyl))carbonylamino]amino}thioxomethyl)amino]-5-pheny lthiophene-3-carboxylate, methyl 2-[({2-[(5-bromofuran-2-yl)carbonyl]hydrazinyl}carbonothioyl)amino]-5-phenylthiophene-3-carboxylate, methyl 2-[[(5-bromofuran-2-carbonyl)amino]carbamothioylamino]-5-phenylthiophene-3-carboxylate, Methyl 2-[[(5-bromofuran-2-carbonyl)amino]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylate
| Molecular Formula | C18H14BrN3O4S2 |
|---|---|
| Molecular Weight | 478.96 g/mol |
| LogP | 4.1886 |
| Topological Polar Surface Area | 92.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 478.9609 |
| Heavy Atoms | 28 |
| Complexity | 1017.02454 |
Chemical Identifiers
| CAS Number | 590352-70-8 |
|---|---|
| SMILES | COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NNC(=O)C3=CC=C(O3)Br |
Product Overview
methyl 2-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate (CAS 590352-70-8), with molecular formula C18H14BrN3O4S2 and molecular weight 478.96 g/mol. IUPAC: methyl 2-[[(5-bromofuran-2-carbonyl)amino]carbamothioylamino]-5-phenylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate
Property Insights of methyl 2-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate
The XLogP value of 4.1886 indicates that methyl 2-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.6 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate has 3 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 methyl 2-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate?
The CAS number of methyl 2-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate is 590352-70-8.
What is the molecular formula of methyl 2-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate?
The molecular formula of methyl 2-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate is C18H14BrN3O4S2.
What is the molecular weight of methyl 2-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate?
The molecular weight of methyl 2-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate is 478.96 g/mol.
Where can I buy methyl 2-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate?
You can request a quote for methyl 2-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2-(5-bromofuran-2-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.