Coumarin, 4-butylamino-3-nitro-
TL;DR: Coumarin, 4-butylamino-3-nitro- (CAS 50527-27-0) is a chemical compound with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(butylamino)-3-nitrochromen-2-one
Also Known As: 4-Butylamino-3-nitrocoumarin, 4-(butylamino)-3-nitrochromen-2-one, 4-(butylamino)-3-nitro-2H-chromen-2-one, COUMARIN, 4-BUTYLAMINO-3-NITRO-, 4-n-butylamino-3-nitrocoumarin
| Molecular Formula | C13H14N2O4 |
|---|---|
| Molecular Weight | 262.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.09537 |
| Heavy Atoms | 19 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 50527-27-0 |
|---|---|
| SMILES | CCCCNC1=C(C(=O)OC2=CC=CC=C21)[N+](=O)[O-] |
| InChIKey | UMKVLFMFXZVPTH-UHFFFAOYSA-N |
Product Overview
Coumarin, 4-butylamino-3-nitro- (CAS 50527-27-0), with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol. IUPAC: 4-(butylamino)-3-nitrochromen-2-one.
Chemical Property Profile of Coumarin, 4-butylamino-3-nitro-
Property Insights of Coumarin, 4-butylamino-3-nitro-
The XLogP value of 3.5 indicates that Coumarin, 4-butylamino-3-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Coumarin, 4-butylamino-3-nitro-. Following Lipinski's Rule of Five, Coumarin, 4-butylamino-3-nitro- has 1 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 Coumarin, 4-butylamino-3-nitro-?
The CAS number of Coumarin, 4-butylamino-3-nitro- is 50527-27-0.
What is the molecular formula of Coumarin, 4-butylamino-3-nitro-?
The molecular formula of Coumarin, 4-butylamino-3-nitro- is C13H14N2O4.
What is the molecular weight of Coumarin, 4-butylamino-3-nitro-?
The molecular weight of Coumarin, 4-butylamino-3-nitro- is 262.10 g/mol.
Where can I buy Coumarin, 4-butylamino-3-nitro-?
You can request a quote for Coumarin, 4-butylamino-3-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin, 4-butylamino-3-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Coumarin, 4-butylamino-3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.