![methyl 2-[(3-bromo-4-tert-butylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/501/501107-50-2.png)
methyl 2-[(3-bromo-4-tert-butylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: methyl 2-[(3-bromo-4-tert-butylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 501107-50-2) is a chemical compound with molecular formula C21H24BrNO3S and molecular weight 449.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-bromo-4-tert-butylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-[(3-bromo-4-tert-butylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, Methyl 2-[(3-bromo-4-tert-butyl-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate, methyl 2-{[(3-bromo-4-tert-butylphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H24BrNO3S |
|---|---|
| Molecular Weight | 449.07 g/mol |
| LogP | 5.7258 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.06604 |
| Heavy Atoms | 27 |
| Complexity | 895.5622 |
Chemical Identifiers
| CAS Number | 501107-50-2 |
|---|---|
| SMILES | CC(C)(C)C1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Br |
Product Overview
methyl 2-[(3-bromo-4-tert-butylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 501107-50-2), with molecular formula C21H24BrNO3S and molecular weight 449.07 g/mol. IUPAC: methyl 2-[(3-bromo-4-tert-butylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of methyl 2-[(3-bromo-4-tert-butylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of methyl 2-[(3-bromo-4-tert-butylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 5.7258 indicates that methyl 2-[(3-bromo-4-tert-butylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, methyl 2-[(3-bromo-4-tert-butylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-[(3-bromo-4-tert-butylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-[(3-bromo-4-tert-butylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of methyl 2-[(3-bromo-4-tert-butylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 501107-50-2.
What is the molecular formula of methyl 2-[(3-bromo-4-tert-butylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of methyl 2-[(3-bromo-4-tert-butylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C21H24BrNO3S.
What is the molecular weight of methyl 2-[(3-bromo-4-tert-butylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of methyl 2-[(3-bromo-4-tert-butylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 449.07 g/mol.
Where can I buy methyl 2-[(3-bromo-4-tert-butylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for methyl 2-[(3-bromo-4-tert-butylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-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-bromo-4-tert-butylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(3-bromo-4-tert-butylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.