2-Formyl-4-nitrophenyl 2-chloro-6-fluorobenzoate
TL;DR: 2-Formyl-4-nitrophenyl 2-chloro-6-fluorobenzoate (CAS 218287-71-9) is a chemical compound with molecular formula C14H7ClFNO5 and molecular weight 323.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-formyl-4-nitrophenyl) 2-chloro-6-fluorobenzoate
Also Known As: 8-Phenyl-isoquinoline, 2-formyl-4-nitrophenyl 2-chloro-6-fluorobenzoate, (2-formyl-4-nitrophenyl) 2-chloro-6-fluorobenzoate, Benzoic acid,2-chloro-6-fluoro-, 2-formyl-4-nitrophenyl ester, 2-FORMYL-4-NITROPHENYL2-CHLORO-6-FLUOROBENZOATE
| Molecular Formula | C14H7ClFNO5 |
|---|---|
| Molecular Weight | 323.00 g/mol |
| LogP | 3.419 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.99966 |
| Heavy Atoms | 22 |
| Complexity | 757.57367 |
Chemical Identifiers
| CAS Number | 218287-71-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C=O)F |
Product Overview
2-Formyl-4-nitrophenyl 2-chloro-6-fluorobenzoate (CAS 218287-71-9), with molecular formula C14H7ClFNO5 and molecular weight 323.00 g/mol. IUPAC: (2-formyl-4-nitrophenyl) 2-chloro-6-fluorobenzoate.
Chemical Property Profile of 2-Formyl-4-nitrophenyl 2-chloro-6-fluorobenzoate
Property Insights of 2-Formyl-4-nitrophenyl 2-chloro-6-fluorobenzoate
The XLogP value of 3.419 indicates that 2-Formyl-4-nitrophenyl 2-chloro-6-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Formyl-4-nitrophenyl 2-chloro-6-fluorobenzoate. Following Lipinski's Rule of Five, 2-Formyl-4-nitrophenyl 2-chloro-6-fluorobenzoate 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 2-Formyl-4-nitrophenyl 2-chloro-6-fluorobenzoate?
The CAS number of 2-Formyl-4-nitrophenyl 2-chloro-6-fluorobenzoate is 218287-71-9.
What is the molecular formula of 2-Formyl-4-nitrophenyl 2-chloro-6-fluorobenzoate?
The molecular formula of 2-Formyl-4-nitrophenyl 2-chloro-6-fluorobenzoate is C14H7ClFNO5.
What is the molecular weight of 2-Formyl-4-nitrophenyl 2-chloro-6-fluorobenzoate?
The molecular weight of 2-Formyl-4-nitrophenyl 2-chloro-6-fluorobenzoate is 323.00 g/mol.
Where can I buy 2-Formyl-4-nitrophenyl 2-chloro-6-fluorobenzoate?
You can request a quote for 2-Formyl-4-nitrophenyl 2-chloro-6-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Formyl-4-nitrophenyl 2-chloro-6-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Formyl-4-nitrophenyl 2-chloro-6-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.