7-Diethylamino-3-((((2-iodoacetamido)ethyl) amino)carbonyl)coumarin
TL;DR: 7-Diethylamino-3-((((2-iodoacetamido)ethyl) amino)carbonyl)coumarin (CAS 160291-50-9) is a chemical compound with molecular formula C18H22IN3O4 and molecular weight 471.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(diethylamino)-N-[2-[(2-iodoacetyl)amino]ethyl]-2-oxochromene-3-carboxamide
Also Known As: IDCC, 7-Diethylamino-3-((((2-iodoacetamido)ethyl) amino)carbonyl)coumarin, 7-(diethylamino)-N-[2-[(2-iodoacetyl)amino]ethyl]-2-oxochromene-3-carboxamide, 7-(Diethylamino)-N-(2-(2-iodoacetamido)ethyl)-2-oxo-2H-chromene-3-carboxamide, I14-33107
| Molecular Formula | C18H22IN3O4 |
|---|---|
| Molecular Weight | 471.07 g/mol |
| LogP | 1.9202 |
| Topological Polar Surface Area | 91.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 471.0655 |
| Heavy Atoms | 26 |
| Complexity | 845.93536 |
Chemical Identifiers
| CAS Number | 160291-50-9 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NCCNC(=O)CI |
Product Overview
7-Diethylamino-3-((((2-iodoacetamido)ethyl) amino)carbonyl)coumarin (CAS 160291-50-9), with molecular formula C18H22IN3O4 and molecular weight 471.07 g/mol. IUPAC: 7-(diethylamino)-N-[2-[(2-iodoacetyl)amino]ethyl]-2-oxochromene-3-carboxamide.
Chemical Property Profile of 7-Diethylamino-3-((((2-iodoacetamido)ethyl) amino)carbonyl)coumarin
Property Insights of 7-Diethylamino-3-((((2-iodoacetamido)ethyl) amino)carbonyl)coumarin
The XLogP value of 1.9202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Diethylamino-3-((((2-iodoacetamido)ethyl) amino)carbonyl)coumarin. The TPSA of 91.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Diethylamino-3-((((2-iodoacetamido)ethyl) amino)carbonyl)coumarin. Following Lipinski's Rule of Five, 7-Diethylamino-3-((((2-iodoacetamido)ethyl) amino)carbonyl)coumarin has 2 hydrogen bond donor(s) and 5 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 7-Diethylamino-3-((((2-iodoacetamido)ethyl) amino)carbonyl)coumarin?
The CAS number of 7-Diethylamino-3-((((2-iodoacetamido)ethyl) amino)carbonyl)coumarin is 160291-50-9.
What is the molecular formula of 7-Diethylamino-3-((((2-iodoacetamido)ethyl) amino)carbonyl)coumarin?
The molecular formula of 7-Diethylamino-3-((((2-iodoacetamido)ethyl) amino)carbonyl)coumarin is C18H22IN3O4.
What is the molecular weight of 7-Diethylamino-3-((((2-iodoacetamido)ethyl) amino)carbonyl)coumarin?
The molecular weight of 7-Diethylamino-3-((((2-iodoacetamido)ethyl) amino)carbonyl)coumarin is 471.07 g/mol.
Where can I buy 7-Diethylamino-3-((((2-iodoacetamido)ethyl) amino)carbonyl)coumarin?
You can request a quote for 7-Diethylamino-3-((((2-iodoacetamido)ethyl) amino)carbonyl)coumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Diethylamino-3-((((2-iodoacetamido)ethyl) amino)carbonyl)coumarin?
Yes, KEHONG BIO provides custom synthesis services for 7-Diethylamino-3-((((2-iodoacetamido)ethyl) amino)carbonyl)coumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.