![isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(3,4-dichlorophenyl)thiophene-3-carboxylate structure](/static/products/4450/445022-19-5.webp)
isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(3,4-dichlorophenyl)thiophene-3-carboxylate
TL;DR: isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(3,4-dichlorophenyl)thiophene-3-carboxylate (CAS 445022-19-5) is a chemical compound with molecular formula C23H16Cl3NO3S2 and molecular weight 522.96 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]-4-(3,4-dichlorophenyl)thiophene-3-carboxylate
Also Known As: isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(3,4-dichlorophenyl)thiophene-3-carboxylate, propan-2-yl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-4-(3,4-dichlorophenyl)thiophene-3-carboxylate, isopropyl 2-(3-chlorobenzo[b]thiophene-2-carboxamido)-4-(3,4-dichlorophenyl)thiophene-3-carboxylate, methylethyl 4-(3,4-dichlorophenyl)-2-[(3-chlorobenzo[b]thiophen-2-yl)carbonyla mino]thiophene-3-carboxylate, propan-2-yl 2-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-4-(3,4-dichlorophenyl)thiophene-3-carboxylate
| Molecular Formula | C23H16Cl3NO3S2 |
|---|---|
| Molecular Weight | 522.96 g/mol |
| LogP | 8.4075 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 522.96375 |
| Heavy Atoms | 32 |
| Complexity | 1343.7637 |
Chemical Identifiers
| CAS Number | 445022-19-5 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(SC=C1C2=CC(=C(C=C2)Cl)Cl)NC(=O)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(3,4-dichlorophenyl)thiophene-3-carboxylate (CAS 445022-19-5), with molecular formula C23H16Cl3NO3S2 and molecular weight 522.96 g/mol. IUPAC: propan-2-yl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-4-(3,4-dichlorophenyl)thiophene-3-carboxylate.
Chemical Property Profile of isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(3,4-dichlorophenyl)thiophene-3-carboxylate
Property Insights of isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(3,4-dichlorophenyl)thiophene-3-carboxylate
The XLogP value of 8.4075 indicates that isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(3,4-dichlorophenyl)thiophene-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, isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(3,4-dichlorophenyl)thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(3,4-dichlorophenyl)thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 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}-4-(3,4-dichlorophenyl)thiophene-3-carboxylate?
The CAS number of isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(3,4-dichlorophenyl)thiophene-3-carboxylate is 445022-19-5.
What is the molecular formula of isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(3,4-dichlorophenyl)thiophene-3-carboxylate?
The molecular formula of isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(3,4-dichlorophenyl)thiophene-3-carboxylate is C23H16Cl3NO3S2.
What is the molecular weight of isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(3,4-dichlorophenyl)thiophene-3-carboxylate?
The molecular weight of isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(3,4-dichlorophenyl)thiophene-3-carboxylate is 522.96 g/mol.
Where can I buy isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(3,4-dichlorophenyl)thiophene-3-carboxylate?
You can request a quote for isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(3,4-dichlorophenyl)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 isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(3,4-dichlorophenyl)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(3,4-dichlorophenyl)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.