diethyl 4,4'-((2-(thiophen-2-ylmethylene)malonyl)bis(azanediyl))dibenzoate
TL;DR: diethyl 4,4'-((2-(thiophen-2-ylmethylene)malonyl)bis(azanediyl))dibenzoate (CAS 372977-97-4) is a chemical compound with molecular formula C26H24N2O6S and molecular weight 492.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[(4-ethoxycarbonylphenyl)carbamoyl]-3-thiophen-2-ylprop-2-enoyl]amino]benzoate
Also Known As: diethyl 4,4'-((2-(thiophen-2-ylmethylene)malonyl)bis(azanediyl))dibenzoate, ethyl 4-[[2-[(4-ethoxycarbonylphenyl)carbamoyl]-3-thiophen-2-ylprop-2-enoyl]amino]benzoate, ethyl 4-{[2-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-3-(thiophen-2-yl)acryloyl]amino}benzoate, Ethyl 4-[[2-[(4-ethoxycarbonylphenyl)carbamoyl]-3-thiophen-2-yl-prop-2-enoyl]amino]benzoate, ethyl 4-{[2-({[4-(ethoxycarbonyl)phenyl]amino}carbonyl)-3-(2-thienyl)acryloyl]amino}benzoate
| Molecular Formula | C26H24N2O6S |
|---|---|
| Molecular Weight | 492.14 g/mol |
| LogP | 4.7623 |
| Topological Polar Surface Area | 110.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 492.1355 |
| Heavy Atoms | 35 |
| Complexity | 1138.2427 |
Chemical Identifiers
| CAS Number | 372977-97-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=CS2)C(=O)NC3=CC=C(C=C3)C(=O)OCC |
Product Overview
diethyl 4,4'-((2-(thiophen-2-ylmethylene)malonyl)bis(azanediyl))dibenzoate (CAS 372977-97-4), with molecular formula C26H24N2O6S and molecular weight 492.14 g/mol. IUPAC: ethyl 4-[[2-[(4-ethoxycarbonylphenyl)carbamoyl]-3-thiophen-2-ylprop-2-enoyl]amino]benzoate.
Chemical Property Profile of diethyl 4,4'-((2-(thiophen-2-ylmethylene)malonyl)bis(azanediyl))dibenzoate
Property Insights of diethyl 4,4'-((2-(thiophen-2-ylmethylene)malonyl)bis(azanediyl))dibenzoate
The XLogP value of 4.7623 indicates that diethyl 4,4'-((2-(thiophen-2-ylmethylene)malonyl)bis(azanediyl))dibenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.8 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 4,4'-((2-(thiophen-2-ylmethylene)malonyl)bis(azanediyl))dibenzoate. Following Lipinski's Rule of Five, diethyl 4,4'-((2-(thiophen-2-ylmethylene)malonyl)bis(azanediyl))dibenzoate has 2 hydrogen bond donor(s) and 7 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 diethyl 4,4'-((2-(thiophen-2-ylmethylene)malonyl)bis(azanediyl))dibenzoate?
The CAS number of diethyl 4,4'-((2-(thiophen-2-ylmethylene)malonyl)bis(azanediyl))dibenzoate is 372977-97-4.
What is the molecular formula of diethyl 4,4'-((2-(thiophen-2-ylmethylene)malonyl)bis(azanediyl))dibenzoate?
The molecular formula of diethyl 4,4'-((2-(thiophen-2-ylmethylene)malonyl)bis(azanediyl))dibenzoate is C26H24N2O6S.
What is the molecular weight of diethyl 4,4'-((2-(thiophen-2-ylmethylene)malonyl)bis(azanediyl))dibenzoate?
The molecular weight of diethyl 4,4'-((2-(thiophen-2-ylmethylene)malonyl)bis(azanediyl))dibenzoate is 492.14 g/mol.
Where can I buy diethyl 4,4'-((2-(thiophen-2-ylmethylene)malonyl)bis(azanediyl))dibenzoate?
You can request a quote for diethyl 4,4'-((2-(thiophen-2-ylmethylene)malonyl)bis(azanediyl))dibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 4,4'-((2-(thiophen-2-ylmethylene)malonyl)bis(azanediyl))dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 4,4'-((2-(thiophen-2-ylmethylene)malonyl)bis(azanediyl))dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.