Xanthen-9-one, 3-nitro-4-pyrrolidinylmethyl-
TL;DR: Xanthen-9-one, 3-nitro-4-pyrrolidinylmethyl- (CAS 43159-95-1) is a chemical compound with molecular formula C18H16N2O4 and molecular weight 324.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-4-(pyrrolidin-1-ylmethyl)xanthen-9-one
Also Known As: 3-Nitro-4-pyrrolidinylmethylxanthen-9-one, Xanthen-9-one, 3-nitro-4-pyrrolidinylmethyl-, Xanthen-9-one,3-nitro-4-pyrrolidinylmethyl, 3-nitro-4-(pyrrolidin-1-ylmethyl)xanthen-9-one, 3-Nitro-4-(pyrrolidin-1-ylmethyl)-9H-xanthen-9-one
| Molecular Formula | C18H16N2O4 |
|---|---|
| Molecular Weight | 324.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.111 |
| Heavy Atoms | 24 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 43159-95-1 |
|---|---|
| SMILES | C1CCN(C1)CC2=C(C=CC3=C2OC4=CC=CC=C4C3=O)[N+](=O)[O-] |
| InChIKey | KOHOVIGFGDGQGI-UHFFFAOYSA-N |
Product Overview
Xanthen-9-one, 3-nitro-4-pyrrolidinylmethyl- (CAS 43159-95-1), with molecular formula C18H16N2O4 and molecular weight 324.11 g/mol. IUPAC: 3-nitro-4-(pyrrolidin-1-ylmethyl)xanthen-9-one.
Chemical Property Profile of Xanthen-9-one, 3-nitro-4-pyrrolidinylmethyl-
Property Insights of Xanthen-9-one, 3-nitro-4-pyrrolidinylmethyl-
The XLogP value of 3.1 indicates that Xanthen-9-one, 3-nitro-4-pyrrolidinylmethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Xanthen-9-one, 3-nitro-4-pyrrolidinylmethyl-. Following Lipinski's Rule of Five, Xanthen-9-one, 3-nitro-4-pyrrolidinylmethyl- 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 Xanthen-9-one, 3-nitro-4-pyrrolidinylmethyl-?
The CAS number of Xanthen-9-one, 3-nitro-4-pyrrolidinylmethyl- is 43159-95-1.
What is the molecular formula of Xanthen-9-one, 3-nitro-4-pyrrolidinylmethyl-?
The molecular formula of Xanthen-9-one, 3-nitro-4-pyrrolidinylmethyl- is C18H16N2O4.
What is the molecular weight of Xanthen-9-one, 3-nitro-4-pyrrolidinylmethyl-?
The molecular weight of Xanthen-9-one, 3-nitro-4-pyrrolidinylmethyl- is 324.11 g/mol.
Where can I buy Xanthen-9-one, 3-nitro-4-pyrrolidinylmethyl-?
You can request a quote for Xanthen-9-one, 3-nitro-4-pyrrolidinylmethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthen-9-one, 3-nitro-4-pyrrolidinylmethyl-?
Yes, KEHONG BIO provides custom synthesis services for Xanthen-9-one, 3-nitro-4-pyrrolidinylmethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.