Propiophenone, 3-(benzylamino)-4'-nitro-, monohydrochloride
TL;DR: Propiophenone, 3-(benzylamino)-4'-nitro-, monohydrochloride (CAS 57501-17-4) is a chemical compound with molecular formula C16H17ClN2O3 and molecular weight 320.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzylamino)-1-(4-nitrophenyl)propan-1-one;hydrochloride
Also Known As: 3-(Benzylamino)-4'-nitro-propiophenone hydrochloride, Propiophenone, 3-(benzylamino)-4'-nitro-, monohydrochloride, 3-(benzylamino)-1-(4-nitrophenyl)propan-1-one hydrochloride, 3-(benzylamino)-1-(4-nitrophenyl)propan-1-one,hydrochloride, 3-(Benzylamino)-1-(4-nitrophenyl)propan-1-one--hydrogen chloride (1/1)
| Molecular Formula | C16H17ClN2O3 |
|---|---|
| Molecular Weight | 320.09 g/mol |
| LogP | 3.3792 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 320.09277 |
| Heavy Atoms | 22 |
| Complexity | 615.04785 |
Chemical Identifiers
| CAS Number | 57501-17-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNCCC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl |
Product Overview
Propiophenone, 3-(benzylamino)-4'-nitro-, monohydrochloride (CAS 57501-17-4), with molecular formula C16H17ClN2O3 and molecular weight 320.09 g/mol. IUPAC: 3-(benzylamino)-1-(4-nitrophenyl)propan-1-one;hydrochloride.
Chemical Property Profile of Propiophenone, 3-(benzylamino)-4'-nitro-, monohydrochloride
Property Insights of Propiophenone, 3-(benzylamino)-4'-nitro-, monohydrochloride
The XLogP value of 3.3792 indicates that Propiophenone, 3-(benzylamino)-4'-nitro-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for Propiophenone, 3-(benzylamino)-4'-nitro-, monohydrochloride. Following Lipinski's Rule of Five, Propiophenone, 3-(benzylamino)-4'-nitro-, monohydrochloride 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 Propiophenone, 3-(benzylamino)-4'-nitro-, monohydrochloride?
The CAS number of Propiophenone, 3-(benzylamino)-4'-nitro-, monohydrochloride is 57501-17-4.
What is the molecular formula of Propiophenone, 3-(benzylamino)-4'-nitro-, monohydrochloride?
The molecular formula of Propiophenone, 3-(benzylamino)-4'-nitro-, monohydrochloride is C16H17ClN2O3.
What is the molecular weight of Propiophenone, 3-(benzylamino)-4'-nitro-, monohydrochloride?
The molecular weight of Propiophenone, 3-(benzylamino)-4'-nitro-, monohydrochloride is 320.09 g/mol.
Where can I buy Propiophenone, 3-(benzylamino)-4'-nitro-, monohydrochloride?
You can request a quote for Propiophenone, 3-(benzylamino)-4'-nitro-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propiophenone, 3-(benzylamino)-4'-nitro-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Propiophenone, 3-(benzylamino)-4'-nitro-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.