![isopropyl 2-{[(5-chloro-2-thienyl)carbonyl]amino}-4-(4-ethoxyphenyl)-3-thiophenecarboxylate structure](/static/products/4449/444907-28-2.webp)
isopropyl 2-{[(5-chloro-2-thienyl)carbonyl]amino}-4-(4-ethoxyphenyl)-3-thiophenecarboxylate
TL;DR: isopropyl 2-{[(5-chloro-2-thienyl)carbonyl]amino}-4-(4-ethoxyphenyl)-3-thiophenecarboxylate (CAS 444907-28-2) is a chemical compound with molecular formula C21H20ClNO4S2 and molecular weight 449.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(5-chlorothiophene-2-carbonyl)amino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate
Also Known As: isopropyl 2-{[(5-chloro-2-thienyl)carbonyl]amino}-4-(4-ethoxyphenyl)-3-thiophenecarboxylate, propan-2-yl 2-[(5-chlorothiophene-2-carbonyl)amino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate, isopropyl 2-(5-chlorothiophene-2-carboxamido)-4-(4-ethoxyphenyl)thiophene-3-carboxylate, methylethyl 2-[(5-chloro(2-thienyl))carbonylamino]-4-(4-ethoxyphenyl)thiophene -3-carboxylate, propan-2-yl 2-{[(5-chlorothiophen-2-yl)carbonyl]amino}-4-(4-ethoxyphenyl)thiophene-3-carboxylate
| Molecular Formula | C21H20ClNO4S2 |
|---|---|
| Molecular Weight | 449.05 g/mol |
| LogP | 6.3462 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 449.05222 |
| Heavy Atoms | 29 |
| Complexity | 1008.12 |
Chemical Identifiers
| CAS Number | 444907-28-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC(C)C)NC(=O)C3=CC=C(S3)Cl |
Product Overview
isopropyl 2-{[(5-chloro-2-thienyl)carbonyl]amino}-4-(4-ethoxyphenyl)-3-thiophenecarboxylate (CAS 444907-28-2), with molecular formula C21H20ClNO4S2 and molecular weight 449.05 g/mol. IUPAC: propan-2-yl 2-[(5-chlorothiophene-2-carbonyl)amino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate.
Chemical Property Profile of isopropyl 2-{[(5-chloro-2-thienyl)carbonyl]amino}-4-(4-ethoxyphenyl)-3-thiophenecarboxylate
Property Insights of isopropyl 2-{[(5-chloro-2-thienyl)carbonyl]amino}-4-(4-ethoxyphenyl)-3-thiophenecarboxylate
The XLogP value of 6.3462 indicates that isopropyl 2-{[(5-chloro-2-thienyl)carbonyl]amino}-4-(4-ethoxyphenyl)-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 2-{[(5-chloro-2-thienyl)carbonyl]amino}-4-(4-ethoxyphenyl)-3-thiophenecarboxylate. Following Lipinski's Rule of Five, isopropyl 2-{[(5-chloro-2-thienyl)carbonyl]amino}-4-(4-ethoxyphenyl)-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-{[(5-chloro-2-thienyl)carbonyl]amino}-4-(4-ethoxyphenyl)-3-thiophenecarboxylate?
The CAS number of isopropyl 2-{[(5-chloro-2-thienyl)carbonyl]amino}-4-(4-ethoxyphenyl)-3-thiophenecarboxylate is 444907-28-2.
What is the molecular formula of isopropyl 2-{[(5-chloro-2-thienyl)carbonyl]amino}-4-(4-ethoxyphenyl)-3-thiophenecarboxylate?
The molecular formula of isopropyl 2-{[(5-chloro-2-thienyl)carbonyl]amino}-4-(4-ethoxyphenyl)-3-thiophenecarboxylate is C21H20ClNO4S2.
What is the molecular weight of isopropyl 2-{[(5-chloro-2-thienyl)carbonyl]amino}-4-(4-ethoxyphenyl)-3-thiophenecarboxylate?
The molecular weight of isopropyl 2-{[(5-chloro-2-thienyl)carbonyl]amino}-4-(4-ethoxyphenyl)-3-thiophenecarboxylate is 449.05 g/mol.
Where can I buy isopropyl 2-{[(5-chloro-2-thienyl)carbonyl]amino}-4-(4-ethoxyphenyl)-3-thiophenecarboxylate?
You can request a quote for isopropyl 2-{[(5-chloro-2-thienyl)carbonyl]amino}-4-(4-ethoxyphenyl)-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-{[(5-chloro-2-thienyl)carbonyl]amino}-4-(4-ethoxyphenyl)-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-{[(5-chloro-2-thienyl)carbonyl]amino}-4-(4-ethoxyphenyl)-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.