4-(2-Hydroxyethylamino)-3-nitrocoumarin
TL;DR: 4-(2-Hydroxyethylamino)-3-nitrocoumarin (CAS 88353-20-2) is a chemical compound with molecular formula C11H10N2O5 and molecular weight 250.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-hydroxyethylamino)-3-nitrochromen-2-one
Also Known As: 4-(2-Hydroxyethylamino)-3-nitrocoumarin, BAS 01052267, 4-(2-hydroxyethylamino)-3-nitrochromen-2-one, 4-[(2-hydroxyethyl)amino]-3-nitrochromen-2-one, 4-(2-Hydroxy-ethylamino)-3-nitro-chromen-2-one
| Molecular Formula | C11H10N2O5 |
|---|---|
| Molecular Weight | 250.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.05898 |
| Heavy Atoms | 18 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 88353-20-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NCCO |
| InChIKey | LMWQULDDYOFSED-UHFFFAOYSA-N |
Product Overview
4-(2-Hydroxyethylamino)-3-nitrocoumarin (CAS 88353-20-2), with molecular formula C11H10N2O5 and molecular weight 250.06 g/mol. IUPAC: 4-(2-hydroxyethylamino)-3-nitrochromen-2-one.
Chemical Property Profile of 4-(2-Hydroxyethylamino)-3-nitrocoumarin
Property Insights of 4-(2-Hydroxyethylamino)-3-nitrocoumarin
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Hydroxyethylamino)-3-nitrocoumarin. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Hydroxyethylamino)-3-nitrocoumarin. Following Lipinski's Rule of Five, 4-(2-Hydroxyethylamino)-3-nitrocoumarin has 2 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 4-(2-Hydroxyethylamino)-3-nitrocoumarin?
The CAS number of 4-(2-Hydroxyethylamino)-3-nitrocoumarin is 88353-20-2.
What is the molecular formula of 4-(2-Hydroxyethylamino)-3-nitrocoumarin?
The molecular formula of 4-(2-Hydroxyethylamino)-3-nitrocoumarin is C11H10N2O5.
What is the molecular weight of 4-(2-Hydroxyethylamino)-3-nitrocoumarin?
The molecular weight of 4-(2-Hydroxyethylamino)-3-nitrocoumarin is 250.06 g/mol.
Where can I buy 4-(2-Hydroxyethylamino)-3-nitrocoumarin?
You can request a quote for 4-(2-Hydroxyethylamino)-3-nitrocoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Hydroxyethylamino)-3-nitrocoumarin?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Hydroxyethylamino)-3-nitrocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.