(4-Nitrosoanilino) 4-chlorobenzoate
TL;DR: (4-Nitrosoanilino) 4-chlorobenzoate (CAS 6938-42-7) is a chemical compound with molecular formula C13H9ClN2O3 and molecular weight 276.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrosoanilino) 4-chlorobenzoate
Also Known As: (4-nitrosoanilino) 4-chlorobenzoate, [(4-nitrosophenyl)amino] 4-chlorobenzoate, (4-Chlorophenyl)[(4-nitrosoanilino)oxy]methanone
| Molecular Formula | C13H9ClN2O3 |
|---|---|
| Molecular Weight | 276.03 g/mol |
| LogP | 3.9218 |
| Topological Polar Surface Area | 67.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.03018 |
| Heavy Atoms | 19 |
| Complexity | 581.8422 |
Chemical Identifiers
| CAS Number | 6938-42-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)ONC2=CC=C(C=C2)N=O)Cl |
Product Overview
(4-Nitrosoanilino) 4-chlorobenzoate (CAS 6938-42-7), with molecular formula C13H9ClN2O3 and molecular weight 276.03 g/mol. IUPAC: (4-nitrosoanilino) 4-chlorobenzoate.
Chemical Property Profile of (4-Nitrosoanilino) 4-chlorobenzoate
Property Insights of (4-Nitrosoanilino) 4-chlorobenzoate
The XLogP value of 3.9218 indicates that (4-Nitrosoanilino) 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.76 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Nitrosoanilino) 4-chlorobenzoate. Following Lipinski's Rule of Five, (4-Nitrosoanilino) 4-chlorobenzoate has 1 hydrogen bond donor(s) and 5 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-Nitrosoanilino) 4-chlorobenzoate?
The CAS number of (4-Nitrosoanilino) 4-chlorobenzoate is 6938-42-7.
What is the molecular formula of (4-Nitrosoanilino) 4-chlorobenzoate?
The molecular formula of (4-Nitrosoanilino) 4-chlorobenzoate is C13H9ClN2O3.
What is the molecular weight of (4-Nitrosoanilino) 4-chlorobenzoate?
The molecular weight of (4-Nitrosoanilino) 4-chlorobenzoate is 276.03 g/mol.
Where can I buy (4-Nitrosoanilino) 4-chlorobenzoate?
You can request a quote for (4-Nitrosoanilino) 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Nitrosoanilino) 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Nitrosoanilino) 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.