Coumarin, 3-nitro-4-(1-pyrrolidinyl)-
TL;DR: Coumarin, 3-nitro-4-(1-pyrrolidinyl)- (CAS 56879-65-3) is a chemical compound with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-4-pyrrolidin-1-ylchromen-2-one
Also Known As: 3-Nitro-4-(1-pyrrolidinyl)coumarin, 3-nitro-4-pyrrolidinocoumarin, 3-Nitro-4-(pyrrolidin-1-yl)-2H-chromen-2-one, COUMARIN, 3-NITRO-4-(1-PYRROLIDINYL)-, 3-nitro-4-pyrrolidinylchromen-2-one
| Molecular Formula | C13H12N2O4 |
|---|---|
| Molecular Weight | 260.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.0797 |
| Heavy Atoms | 19 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 56879-65-3 |
|---|---|
| SMILES | C1CCN(C1)C2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-] |
| InChIKey | ADBXTULQWMWTBQ-UHFFFAOYSA-N |
Product Overview
Coumarin, 3-nitro-4-(1-pyrrolidinyl)- (CAS 56879-65-3), with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol. IUPAC: 3-nitro-4-pyrrolidin-1-ylchromen-2-one.
Chemical Property Profile of Coumarin, 3-nitro-4-(1-pyrrolidinyl)-
Property Insights of Coumarin, 3-nitro-4-(1-pyrrolidinyl)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coumarin, 3-nitro-4-(1-pyrrolidinyl)-. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Coumarin, 3-nitro-4-(1-pyrrolidinyl)-. Following Lipinski's Rule of Five, Coumarin, 3-nitro-4-(1-pyrrolidinyl)- has 0 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, 3-nitro-4-(1-pyrrolidinyl)-?
The CAS number of Coumarin, 3-nitro-4-(1-pyrrolidinyl)- is 56879-65-3.
What is the molecular formula of Coumarin, 3-nitro-4-(1-pyrrolidinyl)-?
The molecular formula of Coumarin, 3-nitro-4-(1-pyrrolidinyl)- is C13H12N2O4.
What is the molecular weight of Coumarin, 3-nitro-4-(1-pyrrolidinyl)-?
The molecular weight of Coumarin, 3-nitro-4-(1-pyrrolidinyl)- is 260.08 g/mol.
Where can I buy Coumarin, 3-nitro-4-(1-pyrrolidinyl)-?
You can request a quote for Coumarin, 3-nitro-4-(1-pyrrolidinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin, 3-nitro-4-(1-pyrrolidinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Coumarin, 3-nitro-4-(1-pyrrolidinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.