![methyl 3-chloro-6-[({[(4-pyrrolylphenyl)carbonylamino]amino}thioxomethyl)amino ]benzo[b]thiophene-2-carboxylate structure](/static/products/7082/708224-29-7.webp)
methyl 3-chloro-6-[({[(4-pyrrolylphenyl)carbonylamino]amino}thioxomethyl)amino ]benzo[b]thiophene-2-carboxylate
TL;DR: methyl 3-chloro-6-[({[(4-pyrrolylphenyl)carbonylamino]amino}thioxomethyl)amino ]benzo[b]thiophene-2-carboxylate (CAS 708224-29-7) is a chemical compound with molecular formula C22H17ClN4O3S2 and molecular weight 484.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-chloro-6-[[(4-pyrrol-1-ylbenzoyl)amino]carbamothioylamino]-1-benzothiophene-2-carboxylate
Also Known As: methyl 3-chloro-6-[({[(4-pyrrolylphenyl)carbonylamino]amino}thioxomethyl)amino ]benzo[b]thiophene-2-carboxylate, methyl 3-chloro-6-[[(4-pyrrol-1-ylbenzoyl)amino]carbamothioylamino]-1-benzothiophene-2-carboxylate, Methyl 3-chloro-6-[[(4-pyrrol-1-ylbenzoyl)amino]thiocarbamoylamino]benzothiophene-2-carboxylate, methyl 3-chloro-6-{[(2-{[4-(1H-pyrrol-1-yl)phenyl]carbonyl}hydrazinyl)carbonothioyl]amino}-1-benzothiophene-2-carboxylate, methyl 6-(2-(4-(1H-pyrrol-1-yl)benzoyl)hydrazinecarbothioamido)-3-chlorobenzo[b]thiophene-2-carboxylate
| Molecular Formula | C22H17ClN4O3S2 |
|---|---|
| Molecular Weight | 484.04 g/mol |
| LogP | 4.7634 |
| Topological Polar Surface Area | 84.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 484.04306 |
| Heavy Atoms | 32 |
| Complexity | 1300.9719 |
Chemical Identifiers
| CAS Number | 708224-29-7 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NNC(=O)C3=CC=C(C=C3)N4C=CC=C4)Cl |
Product Overview
methyl 3-chloro-6-[({[(4-pyrrolylphenyl)carbonylamino]amino}thioxomethyl)amino ]benzo[b]thiophene-2-carboxylate (CAS 708224-29-7), with molecular formula C22H17ClN4O3S2 and molecular weight 484.04 g/mol. IUPAC: methyl 3-chloro-6-[[(4-pyrrol-1-ylbenzoyl)amino]carbamothioylamino]-1-benzothiophene-2-carboxylate.
Chemical Property Profile of methyl 3-chloro-6-[({[(4-pyrrolylphenyl)carbonylamino]amino}thioxomethyl)amino ]benzo[b]thiophene-2-carboxylate
Property Insights of methyl 3-chloro-6-[({[(4-pyrrolylphenyl)carbonylamino]amino}thioxomethyl)amino ]benzo[b]thiophene-2-carboxylate
The XLogP value of 4.7634 indicates that methyl 3-chloro-6-[({[(4-pyrrolylphenyl)carbonylamino]amino}thioxomethyl)amino ]benzo[b]thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.39 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-chloro-6-[({[(4-pyrrolylphenyl)carbonylamino]amino}thioxomethyl)amino ]benzo[b]thiophene-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-chloro-6-[({[(4-pyrrolylphenyl)carbonylamino]amino}thioxomethyl)amino ]benzo[b]thiophene-2-carboxylate 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 methyl 3-chloro-6-[({[(4-pyrrolylphenyl)carbonylamino]amino}thioxomethyl)amino ]benzo[b]thiophene-2-carboxylate?
The CAS number of methyl 3-chloro-6-[({[(4-pyrrolylphenyl)carbonylamino]amino}thioxomethyl)amino ]benzo[b]thiophene-2-carboxylate is 708224-29-7.
What is the molecular formula of methyl 3-chloro-6-[({[(4-pyrrolylphenyl)carbonylamino]amino}thioxomethyl)amino ]benzo[b]thiophene-2-carboxylate?
The molecular formula of methyl 3-chloro-6-[({[(4-pyrrolylphenyl)carbonylamino]amino}thioxomethyl)amino ]benzo[b]thiophene-2-carboxylate is C22H17ClN4O3S2.
What is the molecular weight of methyl 3-chloro-6-[({[(4-pyrrolylphenyl)carbonylamino]amino}thioxomethyl)amino ]benzo[b]thiophene-2-carboxylate?
The molecular weight of methyl 3-chloro-6-[({[(4-pyrrolylphenyl)carbonylamino]amino}thioxomethyl)amino ]benzo[b]thiophene-2-carboxylate is 484.04 g/mol.
Where can I buy methyl 3-chloro-6-[({[(4-pyrrolylphenyl)carbonylamino]amino}thioxomethyl)amino ]benzo[b]thiophene-2-carboxylate?
You can request a quote for methyl 3-chloro-6-[({[(4-pyrrolylphenyl)carbonylamino]amino}thioxomethyl)amino ]benzo[b]thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-chloro-6-[({[(4-pyrrolylphenyl)carbonylamino]amino}thioxomethyl)amino ]benzo[b]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-chloro-6-[({[(4-pyrrolylphenyl)carbonylamino]amino}thioxomethyl)amino ]benzo[b]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.