(3S)-4-nitro-1,3-diphenylbutan-1-one
TL;DR: (3S)-4-nitro-1,3-diphenylbutan-1-one (CAS 68047-61-0) is a chemical compound with molecular formula C16H15NO3 and molecular weight 269.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-4-nitro-1,3-diphenylbutan-1-one
Also Known As: (3S)-4-nitro-1,3-diphenylbutan-1-one, (S)-beta-Phenyl-gamma-nitrobutyrophenone, (S)-1,3-Diphenyl-4-nitro-1-butanone, (S)-4-Nitro-1,3-diphenyl-1-butanone, (S)-gamma-Nitro-beta-phenylbutyrophenone
| Molecular Formula | C16H15NO3 |
|---|---|
| Molecular Weight | 269.11 g/mol |
| LogP | 3.3199 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 269.1052 |
| Heavy Atoms | 20 |
| Complexity | 581.18567 |
Chemical Identifiers
| CAS Number | 68047-61-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)[C@H](CC(=O)C2=CC=CC=C2)C[N+](=O)[O-] |
Product Overview
(3S)-4-nitro-1,3-diphenylbutan-1-one (CAS 68047-61-0), with molecular formula C16H15NO3 and molecular weight 269.11 g/mol. IUPAC: (3S)-4-nitro-1,3-diphenylbutan-1-one.
Chemical Property Profile of (3S)-4-nitro-1,3-diphenylbutan-1-one
Property Insights of (3S)-4-nitro-1,3-diphenylbutan-1-one
The XLogP value of 3.3199 indicates that (3S)-4-nitro-1,3-diphenylbutan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-4-nitro-1,3-diphenylbutan-1-one. Following Lipinski's Rule of Five, (3S)-4-nitro-1,3-diphenylbutan-1-one has 0 hydrogen bond donor(s) and 3 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 (3S)-4-nitro-1,3-diphenylbutan-1-one?
The CAS number of (3S)-4-nitro-1,3-diphenylbutan-1-one is 68047-61-0.
What is the molecular formula of (3S)-4-nitro-1,3-diphenylbutan-1-one?
The molecular formula of (3S)-4-nitro-1,3-diphenylbutan-1-one is C16H15NO3.
What is the molecular weight of (3S)-4-nitro-1,3-diphenylbutan-1-one?
The molecular weight of (3S)-4-nitro-1,3-diphenylbutan-1-one is 269.11 g/mol.
Where can I buy (3S)-4-nitro-1,3-diphenylbutan-1-one?
You can request a quote for (3S)-4-nitro-1,3-diphenylbutan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-4-nitro-1,3-diphenylbutan-1-one?
Yes, KEHONG BIO provides custom synthesis services for (3S)-4-nitro-1,3-diphenylbutan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.