Propan-2-yl 2-(4-chloro-3-nitrobenzoyl)benzoate
TL;DR: Propan-2-yl 2-(4-chloro-3-nitrobenzoyl)benzoate (CAS 140861-44-5) is a chemical compound with molecular formula C17H14ClNO5 and molecular weight 347.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-(4-chloro-3-nitrobenzoyl)benzoate
Also Known As: BAS 00341170, propan-2-yl 2-(4-chloro-3-nitrobenzoyl)benzoate, ISOPROPYL 2-(4-CHLORO-3-NITROBENZOYL)BENZOATE, methylethyl 2-[(4-chloro-3-nitrophenyl)carbonyl]benzoate, 2-(4-Chloro-3-nitro-benzoyl)-benzoic acid isopropyl ester
| Molecular Formula | C17H14ClNO5 |
|---|---|
| Molecular Weight | 347.06 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.05606 |
| Heavy Atoms | 24 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 140861-44-5 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | PWDFSHBPJLXBJF-UHFFFAOYSA-N |
Product Overview
Propan-2-yl 2-(4-chloro-3-nitrobenzoyl)benzoate (CAS 140861-44-5), with molecular formula C17H14ClNO5 and molecular weight 347.06 g/mol. IUPAC: propan-2-yl 2-(4-chloro-3-nitrobenzoyl)benzoate.
Chemical Property Profile of Propan-2-yl 2-(4-chloro-3-nitrobenzoyl)benzoate
Property Insights of Propan-2-yl 2-(4-chloro-3-nitrobenzoyl)benzoate
The XLogP value of 4.4 indicates that Propan-2-yl 2-(4-chloro-3-nitrobenzoyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Propan-2-yl 2-(4-chloro-3-nitrobenzoyl)benzoate. Following Lipinski's Rule of Five, Propan-2-yl 2-(4-chloro-3-nitrobenzoyl)benzoate has 0 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 Propan-2-yl 2-(4-chloro-3-nitrobenzoyl)benzoate?
The CAS number of Propan-2-yl 2-(4-chloro-3-nitrobenzoyl)benzoate is 140861-44-5.
What is the molecular formula of Propan-2-yl 2-(4-chloro-3-nitrobenzoyl)benzoate?
The molecular formula of Propan-2-yl 2-(4-chloro-3-nitrobenzoyl)benzoate is C17H14ClNO5.
What is the molecular weight of Propan-2-yl 2-(4-chloro-3-nitrobenzoyl)benzoate?
The molecular weight of Propan-2-yl 2-(4-chloro-3-nitrobenzoyl)benzoate is 347.06 g/mol.
Where can I buy Propan-2-yl 2-(4-chloro-3-nitrobenzoyl)benzoate?
You can request a quote for Propan-2-yl 2-(4-chloro-3-nitrobenzoyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl 2-(4-chloro-3-nitrobenzoyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 2-(4-chloro-3-nitrobenzoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.