![methyl 6-({[3-(4-bromo-1H-pyrazol-1-yl)propyl]carbamothioyl}amino)-3-chloro-1-benzothiophene-2-carboxylate structure](/static/products/896/896184-23-9.png)
methyl 6-({[3-(4-bromo-1H-pyrazol-1-yl)propyl]carbamothioyl}amino)-3-chloro-1-benzothiophene-2-carboxylate
TL;DR: methyl 6-({[3-(4-bromo-1H-pyrazol-1-yl)propyl]carbamothioyl}amino)-3-chloro-1-benzothiophene-2-carboxylate (CAS 896184-23-9) is a chemical compound with molecular formula C17H16BrClN4O2S2 and molecular weight 485.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-[3-(4-bromopyrazol-1-yl)propylcarbamothioylamino]-3-chloro-1-benzothiophene-2-carboxylate
Also Known As: methyl 6-({[3-(4-bromo-1H-pyrazol-1-yl)propyl]carbamothioyl}amino)-3-chloro-1-benzothiophene-2-carboxylate, methyl 6-(3-(3-(4-bromo-1H-pyrazol-1-yl)propyl)thioureido)-3-chlorobenzo[b]thiophene-2-carboxylate, methyl 6-[({[3-(4-bromopyrazolyl)propyl]amino}thioxomethyl)amino]-3-chlorobenz o[b]thiophene-2-carboxylate, methyl 6-[3-(4-bromopyrazol-1-yl)propylcarbamothioylamino]-3-chloro-1-benzothiophene-2-carboxylate
| Molecular Formula | C17H16BrClN4O2S2 |
|---|---|
| Molecular Weight | 485.96 g/mol |
| LogP | 4.677 |
| Topological Polar Surface Area | 68.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.95865 |
| Heavy Atoms | 27 |
| Complexity | 988.63257 |
Chemical Identifiers
| CAS Number | 896184-23-9 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NCCCN3C=C(C=N3)Br)Cl |
Product Overview
methyl 6-({[3-(4-bromo-1H-pyrazol-1-yl)propyl]carbamothioyl}amino)-3-chloro-1-benzothiophene-2-carboxylate (CAS 896184-23-9), with molecular formula C17H16BrClN4O2S2 and molecular weight 485.96 g/mol. IUPAC: methyl 6-[3-(4-bromopyrazol-1-yl)propylcarbamothioylamino]-3-chloro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of methyl 6-({[3-(4-bromo-1H-pyrazol-1-yl)propyl]carbamothioyl}amino)-3-chloro-1-benzothiophene-2-carboxylate
Property Insights of methyl 6-({[3-(4-bromo-1H-pyrazol-1-yl)propyl]carbamothioyl}amino)-3-chloro-1-benzothiophene-2-carboxylate
The XLogP value of 4.677 indicates that methyl 6-({[3-(4-bromo-1H-pyrazol-1-yl)propyl]carbamothioyl}amino)-3-chloro-1-benzothiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.18 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 6-({[3-(4-bromo-1H-pyrazol-1-yl)propyl]carbamothioyl}amino)-3-chloro-1-benzothiophene-2-carboxylate. Following Lipinski's Rule of Five, methyl 6-({[3-(4-bromo-1H-pyrazol-1-yl)propyl]carbamothioyl}amino)-3-chloro-1-benzothiophene-2-carboxylate 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 methyl 6-({[3-(4-bromo-1H-pyrazol-1-yl)propyl]carbamothioyl}amino)-3-chloro-1-benzothiophene-2-carboxylate?
The CAS number of methyl 6-({[3-(4-bromo-1H-pyrazol-1-yl)propyl]carbamothioyl}amino)-3-chloro-1-benzothiophene-2-carboxylate is 896184-23-9.
What is the molecular formula of methyl 6-({[3-(4-bromo-1H-pyrazol-1-yl)propyl]carbamothioyl}amino)-3-chloro-1-benzothiophene-2-carboxylate?
The molecular formula of methyl 6-({[3-(4-bromo-1H-pyrazol-1-yl)propyl]carbamothioyl}amino)-3-chloro-1-benzothiophene-2-carboxylate is C17H16BrClN4O2S2.
What is the molecular weight of methyl 6-({[3-(4-bromo-1H-pyrazol-1-yl)propyl]carbamothioyl}amino)-3-chloro-1-benzothiophene-2-carboxylate?
The molecular weight of methyl 6-({[3-(4-bromo-1H-pyrazol-1-yl)propyl]carbamothioyl}amino)-3-chloro-1-benzothiophene-2-carboxylate is 485.96 g/mol.
Where can I buy methyl 6-({[3-(4-bromo-1H-pyrazol-1-yl)propyl]carbamothioyl}amino)-3-chloro-1-benzothiophene-2-carboxylate?
You can request a quote for methyl 6-({[3-(4-bromo-1H-pyrazol-1-yl)propyl]carbamothioyl}amino)-3-chloro-1-benzothiophene-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 6-({[3-(4-bromo-1H-pyrazol-1-yl)propyl]carbamothioyl}amino)-3-chloro-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-({[3-(4-bromo-1H-pyrazol-1-yl)propyl]carbamothioyl}amino)-3-chloro-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.