![isopropyl 2-{[(4-bromophenyl)acetyl]amino}-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate structure](/static/products/4450/445007-35-2.webp)
isopropyl 2-{[(4-bromophenyl)acetyl]amino}-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate
TL;DR: isopropyl 2-{[(4-bromophenyl)acetyl]amino}-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate (CAS 445007-35-2) is a chemical compound with molecular formula C20H23BrN2O4S and molecular weight 466.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[2-(4-bromophenyl)acetyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Also Known As: isopropyl 2-{[(4-bromophenyl)acetyl]amino}-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate, propan-2-yl 2-[[2-(4-bromophenyl)acetyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate, isopropyl 2-(2-(4-bromophenyl)acetamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate, methylethyl 5-(N,N-dimethylcarbamoyl)-2-[2-(4-bromophenyl)acetylamino]-4-methy lthiophene-3-carboxylate, propan-2-yl 2-{[(4-bromophenyl)acetyl]amino}-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
| Molecular Formula | C20H23BrN2O4S |
|---|---|
| Molecular Weight | 466.06 g/mol |
| LogP | 4.26722 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.05618 |
| Heavy Atoms | 28 |
| Complexity | 888.3558 |
Chemical Identifiers
| CAS Number | 445007-35-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)CC2=CC=C(C=C2)Br)C(=O)N(C)C |
Product Overview
isopropyl 2-{[(4-bromophenyl)acetyl]amino}-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate (CAS 445007-35-2), with molecular formula C20H23BrN2O4S and molecular weight 466.06 g/mol. IUPAC: propan-2-yl 2-[[2-(4-bromophenyl)acetyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate.
Chemical Property Profile of isopropyl 2-{[(4-bromophenyl)acetyl]amino}-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate
Property Insights of isopropyl 2-{[(4-bromophenyl)acetyl]amino}-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate
The XLogP value of 4.26722 indicates that isopropyl 2-{[(4-bromophenyl)acetyl]amino}-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 2-{[(4-bromophenyl)acetyl]amino}-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, isopropyl 2-{[(4-bromophenyl)acetyl]amino}-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate has 1 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 isopropyl 2-{[(4-bromophenyl)acetyl]amino}-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate?
The CAS number of isopropyl 2-{[(4-bromophenyl)acetyl]amino}-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate is 445007-35-2.
What is the molecular formula of isopropyl 2-{[(4-bromophenyl)acetyl]amino}-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate?
The molecular formula of isopropyl 2-{[(4-bromophenyl)acetyl]amino}-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate is C20H23BrN2O4S.
What is the molecular weight of isopropyl 2-{[(4-bromophenyl)acetyl]amino}-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate?
The molecular weight of isopropyl 2-{[(4-bromophenyl)acetyl]amino}-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate is 466.06 g/mol.
Where can I buy isopropyl 2-{[(4-bromophenyl)acetyl]amino}-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate?
You can request a quote for isopropyl 2-{[(4-bromophenyl)acetyl]amino}-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl 2-{[(4-bromophenyl)acetyl]amino}-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-{[(4-bromophenyl)acetyl]amino}-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.