![isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate structure](/static/products/5415/541529-48-0.webp)
isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate
TL;DR: isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate (CAS 541529-48-0) is a chemical compound with molecular formula C23H25ClN2O4S2 and molecular weight 492.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Also Known As: isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate, propan-2-yl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate, isopropyl 2-(3-chlorobenzo[b]thiophene-2-carboxamido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate, methylethyl 5-(N,N-diethylcarbamoyl)-2-[(3-chlorobenzo[b]thiophen-2-yl)carbony lamino]-4-methylthiophene-3-carboxylate, propan-2-yl 2-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
| Molecular Formula | C23H25ClN2O4S2 |
|---|---|
| Molecular Weight | 492.09 g/mol |
| LogP | 6.22412 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 492.09442 |
| Heavy Atoms | 32 |
| Complexity | 1178.3336 |
Chemical Identifiers
| CAS Number | 541529-48-0 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)OC(C)C)C |
Product Overview
isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate (CAS 541529-48-0), with molecular formula C23H25ClN2O4S2 and molecular weight 492.09 g/mol. IUPAC: propan-2-yl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate.
Chemical Property Profile of isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate
Property Insights of isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate
The XLogP value of 6.22412 indicates that isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate 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-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate?
The CAS number of isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate is 541529-48-0.
What is the molecular formula of isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate?
The molecular formula of isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate is C23H25ClN2O4S2.
What is the molecular weight of isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate?
The molecular weight of isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate is 492.09 g/mol.
Where can I buy isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate?
You can request a quote for isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.