Isopropyl 4-chloro-3-nitrobenzoate
TL;DR: Isopropyl 4-chloro-3-nitrobenzoate (CAS 22928-62-7) is a chemical compound with molecular formula C10H10ClNO4 and molecular weight 243.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-chloro-3-nitrobenzoate
Also Known As: isopropyl 4-chloro-3-nitrobenzoate, propan-2-yl 4-chloro-3-nitrobenzoate, iso-propyl 4-chloro-3-nitrobenzoate, i-propyl 4-chloro-3-nitrobenzoate, methylethyl 4-chloro-3-nitrobenzoate
| Molecular Formula | C10H10ClNO4 |
|---|---|
| Molecular Weight | 243.03 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.02983 |
| Heavy Atoms | 16 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 22928-62-7 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-] |
| InChIKey | SYAIBOZYDSNSJG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl 4-chloro-3-nitrobenzoate (CAS 22928-62-7), with molecular formula C10H10ClNO4 and molecular weight 243.03 g/mol. IUPAC: propan-2-yl 4-chloro-3-nitrobenzoate.
Chemical Property Profile of Isopropyl 4-chloro-3-nitrobenzoate
Property Insights of Isopropyl 4-chloro-3-nitrobenzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl 4-chloro-3-nitrobenzoate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Isopropyl 4-chloro-3-nitrobenzoate. Following Lipinski's Rule of Five, Isopropyl 4-chloro-3-nitrobenzoate has 0 hydrogen bond donor(s) and 4 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 Isopropyl 4-chloro-3-nitrobenzoate?
The CAS number of Isopropyl 4-chloro-3-nitrobenzoate is 22928-62-7.
What is the molecular formula of Isopropyl 4-chloro-3-nitrobenzoate?
The molecular formula of Isopropyl 4-chloro-3-nitrobenzoate is C10H10ClNO4.
What is the molecular weight of Isopropyl 4-chloro-3-nitrobenzoate?
The molecular weight of Isopropyl 4-chloro-3-nitrobenzoate is 243.03 g/mol.
Where can I buy Isopropyl 4-chloro-3-nitrobenzoate?
You can request a quote for Isopropyl 4-chloro-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 4-chloro-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 4-chloro-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.