ChemDiv1_026325
TL;DR: ChemDiv1_026325 (CAS 49749-89-5) is a chemical compound with molecular formula C20H18NO3P and molecular weight 351.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-diphenylphosphoryl-2-nitroethyl)benzene
Also Known As: ChemDiv1_026325, (1-diphenylphosphoryl-2-nitroethyl)benzene, (1-diphenylphosphoryl-2-nitro-ethyl)benzene, (2-nitro-1-phenylethyl)(diphenyl)phosphine oxide, J2.702.542K
| Molecular Formula | C20H18NO3P |
|---|---|
| Molecular Weight | 351.10 g/mol |
| LogP | 4.0185 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.10242 |
| Heavy Atoms | 25 |
| Complexity | 839.0893 |
Chemical Identifiers
| CAS Number | 49749-89-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C[N+](=O)[O-])P(=O)(C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
ChemDiv1_026325 (CAS 49749-89-5), with molecular formula C20H18NO3P and molecular weight 351.10 g/mol. IUPAC: (1-diphenylphosphoryl-2-nitroethyl)benzene.
Chemical Property Profile of ChemDiv1_026325
Property Insights of ChemDiv1_026325
The XLogP value of 4.0185 indicates that ChemDiv1_026325 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 ChemDiv1_026325. Following Lipinski's Rule of Five, ChemDiv1_026325 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 ChemDiv1_026325?
The CAS number of ChemDiv1_026325 is 49749-89-5.
What is the molecular formula of ChemDiv1_026325?
The molecular formula of ChemDiv1_026325 is C20H18NO3P.
What is the molecular weight of ChemDiv1_026325?
The molecular weight of ChemDiv1_026325 is 351.10 g/mol.
Where can I buy ChemDiv1_026325?
You can request a quote for ChemDiv1_026325 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_026325?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_026325 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.