N-(2-(1-maleimidyl)ethyl)-7-(diethylamino)coumarin-3-carboxamide
TL;DR: N-(2-(1-maleimidyl)ethyl)-7-(diethylamino)coumarin-3-carboxamide (CAS 156571-46-9) is a chemical compound with molecular formula C20H21N3O5 and molecular weight 383.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(diethylamino)-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-oxochromene-3-carboxamide
Also Known As: MDCC, Mdcc fluorophore, 7-Diethylamino-3-[N-(2-maleimidoethyl)carbamoyl]coumarin, HY-D0087, 7-(diethylamino)-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-oxochromene-3-carboxamide
| Molecular Formula | C20H21N3O5 |
|---|---|
| Molecular Weight | 383.15 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.14813 |
| Heavy Atoms | 28 |
| Complexity | 707.0 |
Chemical Identifiers
| CAS Number | 156571-46-9 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NCCN3C(=O)C=CC3=O |
| InChIKey | IXQPRUQVJIJUEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-(1-maleimidyl)ethyl)-7-(diethylamino)coumarin-3-carboxamide (CAS 156571-46-9), with molecular formula C20H21N3O5 and molecular weight 383.15 g/mol. IUPAC: 7-(diethylamino)-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-oxochromene-3-carboxamide.
Chemical Property Profile of N-(2-(1-maleimidyl)ethyl)-7-(diethylamino)coumarin-3-carboxamide
Property Insights of N-(2-(1-maleimidyl)ethyl)-7-(diethylamino)coumarin-3-carboxamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-(1-maleimidyl)ethyl)-7-(diethylamino)coumarin-3-carboxamide. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-(1-maleimidyl)ethyl)-7-(diethylamino)coumarin-3-carboxamide. Following Lipinski's Rule of Five, N-(2-(1-maleimidyl)ethyl)-7-(diethylamino)coumarin-3-carboxamide has 1 hydrogen bond donor(s) and 6 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 N-(2-(1-maleimidyl)ethyl)-7-(diethylamino)coumarin-3-carboxamide?
The CAS number of N-(2-(1-maleimidyl)ethyl)-7-(diethylamino)coumarin-3-carboxamide is 156571-46-9.
What is the molecular formula of N-(2-(1-maleimidyl)ethyl)-7-(diethylamino)coumarin-3-carboxamide?
The molecular formula of N-(2-(1-maleimidyl)ethyl)-7-(diethylamino)coumarin-3-carboxamide is C20H21N3O5.
What is the molecular weight of N-(2-(1-maleimidyl)ethyl)-7-(diethylamino)coumarin-3-carboxamide?
The molecular weight of N-(2-(1-maleimidyl)ethyl)-7-(diethylamino)coumarin-3-carboxamide is 383.15 g/mol.
Where can I buy N-(2-(1-maleimidyl)ethyl)-7-(diethylamino)coumarin-3-carboxamide?
You can request a quote for N-(2-(1-maleimidyl)ethyl)-7-(diethylamino)coumarin-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-(1-maleimidyl)ethyl)-7-(diethylamino)coumarin-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-(1-maleimidyl)ethyl)-7-(diethylamino)coumarin-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.