4-n-Butylamino-3-nitrobenzophenone
TL;DR: 4-n-Butylamino-3-nitrobenzophenone (CAS 65304-06-5) is a chemical compound with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(butylamino)-3-nitrophenyl]-phenylmethanone
Also Known As: 4-n-Butylamino-3-nitrobenzophenone, 3-nitro-4-n-butylaminobenzophenone, [4-(butylamino)-3-nitrophenyl]-phenylmethanone, Methanone, [4-(butylamino)-3-nitrophenyl]phenyl-, [4-(Butylamino)-3-nitrophenyl](phenyl)methanone
| Molecular Formula | C17H18N2O3 |
|---|---|
| Molecular Weight | 298.13 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.13174 |
| Heavy Atoms | 22 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 65304-06-5 |
|---|---|
| SMILES | CCCCNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | PTVLDKPAVLMSPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-n-Butylamino-3-nitrobenzophenone (CAS 65304-06-5), with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol. IUPAC: [4-(butylamino)-3-nitrophenyl]-phenylmethanone.
Chemical Property Profile of 4-n-Butylamino-3-nitrobenzophenone
Property Insights of 4-n-Butylamino-3-nitrobenzophenone
The XLogP value of 4.9 indicates that 4-n-Butylamino-3-nitrobenzophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-n-Butylamino-3-nitrobenzophenone. Following Lipinski's Rule of Five, 4-n-Butylamino-3-nitrobenzophenone has 1 hydrogen bond donor(s) and 4 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-n-Butylamino-3-nitrobenzophenone?
The CAS number of 4-n-Butylamino-3-nitrobenzophenone is 65304-06-5.
What is the molecular formula of 4-n-Butylamino-3-nitrobenzophenone?
The molecular formula of 4-n-Butylamino-3-nitrobenzophenone is C17H18N2O3.
What is the molecular weight of 4-n-Butylamino-3-nitrobenzophenone?
The molecular weight of 4-n-Butylamino-3-nitrobenzophenone is 298.13 g/mol.
Where can I buy 4-n-Butylamino-3-nitrobenzophenone?
You can request a quote for 4-n-Butylamino-3-nitrobenzophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-n-Butylamino-3-nitrobenzophenone?
Yes, KEHONG BIO provides custom synthesis services for 4-n-Butylamino-3-nitrobenzophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.