3-chloro-1-(4-phenylphenyl)propan-1-one
TL;DR: 3-chloro-1-(4-phenylphenyl)propan-1-one (CAS 210469-31-1) is a chemical compound with molecular formula C11H16N3O5P and molecular weight 301.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-5-nitro-2-oxo-N-(pyridin-4-ylmethyl)-1,3,2λ5-dioxaphosphinan-2-amine
Also Known As: 3-chloro-1-(4-phenylphenyl)propan-1-one, 5-ethyl-5-nitro-2-oxo-N-(pyridin-4-ylmethyl)-1,3,2, 5-ethyl-5-nitro-n-(pyridin-4-ylmethyl)-1,3,2-dioxaphosphinan-2-amine 2-oxide, 5-ethyl-5-nitro-2-oxo-N-(pyridin-4-ylmethyl)-1,3,2lambda5-dioxaphosphinan-2-amine
| Molecular Formula | C11H16N3O5P |
|---|---|
| Molecular Weight | 301.08 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.08276 |
| Heavy Atoms | 20 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 210469-31-1 |
|---|---|
| SMILES | CCC1(COP(=O)(OC1)NCC2=CC=NC=C2)[N+](=O)[O-] |
| InChIKey | QXBJXLBKFRPYLI-UHFFFAOYSA-N |
Product Overview
3-chloro-1-(4-phenylphenyl)propan-1-one (CAS 210469-31-1), with molecular formula C11H16N3O5P and molecular weight 301.08 g/mol. IUPAC: 5-ethyl-5-nitro-2-oxo-N-(pyridin-4-ylmethyl)-1,3,2λ5-dioxaphosphinan-2-amine.
Chemical Property Profile of 3-chloro-1-(4-phenylphenyl)propan-1-one
Property Insights of 3-chloro-1-(4-phenylphenyl)propan-1-one
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-1-(4-phenylphenyl)propan-1-one. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-1-(4-phenylphenyl)propan-1-one. Following Lipinski's Rule of Five, 3-chloro-1-(4-phenylphenyl)propan-1-one has 1 hydrogen bond donor(s) and 7 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 3-chloro-1-(4-phenylphenyl)propan-1-one?
The CAS number of 3-chloro-1-(4-phenylphenyl)propan-1-one is 210469-31-1.
What is the molecular formula of 3-chloro-1-(4-phenylphenyl)propan-1-one?
The molecular formula of 3-chloro-1-(4-phenylphenyl)propan-1-one is C11H16N3O5P.
What is the molecular weight of 3-chloro-1-(4-phenylphenyl)propan-1-one?
The molecular weight of 3-chloro-1-(4-phenylphenyl)propan-1-one is 301.08 g/mol.
Where can I buy 3-chloro-1-(4-phenylphenyl)propan-1-one?
You can request a quote for 3-chloro-1-(4-phenylphenyl)propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-1-(4-phenylphenyl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-1-(4-phenylphenyl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.