![methyl 2-(3-(4-bromobenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/3705/370575-35-2.webp)
methyl 2-(3-(4-bromobenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: methyl 2-(3-(4-bromobenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 370575-35-2) is a chemical compound with molecular formula C18H17BrN2O3S2 and molecular weight 451.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-bromobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-(3-(4-bromobenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-({[(4-bromophenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[(4-bromobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, Methyl 2-[(4-bromobenzoyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
| Molecular Formula | C18H17BrN2O3S2 |
|---|---|
| Molecular Weight | 451.99 g/mol |
| LogP | 4.3028 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 451.9864 |
| Heavy Atoms | 26 |
| Complexity | 862.0663 |
Chemical Identifiers
| CAS Number | 370575-35-2 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CC=C(C=C3)Br |
Product Overview
methyl 2-(3-(4-bromobenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 370575-35-2), with molecular formula C18H17BrN2O3S2 and molecular weight 451.99 g/mol. IUPAC: methyl 2-[(4-bromobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(3-(4-bromobenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of methyl 2-(3-(4-bromobenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 4.3028 indicates that methyl 2-(3-(4-bromobenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(3-(4-bromobenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(3-(4-bromobenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-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 2-(3-(4-bromobenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of methyl 2-(3-(4-bromobenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 370575-35-2.
What is the molecular formula of methyl 2-(3-(4-bromobenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of methyl 2-(3-(4-bromobenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C18H17BrN2O3S2.
What is the molecular weight of methyl 2-(3-(4-bromobenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of methyl 2-(3-(4-bromobenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 451.99 g/mol.
Where can I buy methyl 2-(3-(4-bromobenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for methyl 2-(3-(4-bromobenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-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-(3-(4-bromobenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(3-(4-bromobenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.