RefChem:232040
TL;DR: RefChem:232040 (CAS 444905-38-8) is a chemical compound with molecular formula C26H28ClNO5S and molecular weight 501.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate
Also Known As: 1-Methylethyl 2-[[2-(4-chlorophenoxy)-2-methyl-1-oxopropyl]amino]-4-(4-ethoxyphenyl)-3-thiophenecarboxylate, isopropyl 2-{[2-(4-chlorophenoxy)-2-methylpropanoyl]amino}-4-(4-ethoxyphenyl)-3-thiophenecarboxylate, propan-2-yl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate, 1-Methylethyl 2-((2-(4-chlorophenoxy)-2-methyl-1-oxopropyl)amino)-4-(4-ethoxyphenyl)-3-thiophenecarboxylate, methylethyl 2-[2-(4-chlorophenoxy)-2-methylpropanoylamino]-4-(4-ethoxyphenyl)t hiophene-3-carboxylate
| Molecular Formula | C26H28ClNO5S |
|---|---|
| Molecular Weight | 501.14 g/mol |
| LogP | 6.8285 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 501.13766 |
| Heavy Atoms | 34 |
| Complexity | 1137.0026 |
Chemical Identifiers
| CAS Number | 444905-38-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC(C)C)NC(=O)C(C)(C)OC3=CC=C(C=C3)Cl |
Product Overview
RefChem:232040 (CAS 444905-38-8), with molecular formula C26H28ClNO5S and molecular weight 501.14 g/mol. IUPAC: propan-2-yl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate.
Chemical Property Profile of RefChem:232040
Property Insights of RefChem:232040
The XLogP value of 6.8285 indicates that RefChem:232040 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:232040. Following Lipinski's Rule of Five, RefChem:232040 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 RefChem:232040?
The CAS number of RefChem:232040 is 444905-38-8.
What is the molecular formula of RefChem:232040?
The molecular formula of RefChem:232040 is C26H28ClNO5S.
What is the molecular weight of RefChem:232040?
The molecular weight of RefChem:232040 is 501.14 g/mol.
Where can I buy RefChem:232040?
You can request a quote for RefChem:232040 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:232040?
Yes, KEHONG BIO provides custom synthesis services for RefChem:232040 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.