4-Nitrophenyl 3-chloropropanoate
TL;DR: 4-Nitrophenyl 3-chloropropanoate (CAS 89073-36-9) is a chemical compound with molecular formula C9H8ClNO4 and molecular weight 229.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 3-chloropropanoate
Also Known As: 4-nitrophenyl 3-chloropropanoate, NCIOpen2_003051, (4-nitrophenyl) 3-chloropropanoate, Propanoic acid,3-chloro-, 4-nitrophenyl ester
| Molecular Formula | C9H8ClNO4 |
|---|---|
| Molecular Weight | 229.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.01419 |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 89073-36-9 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC(=O)CCCl |
| InChIKey | ARMSMFUGMQBDNN-UHFFFAOYSA-N |
Product Overview
4-Nitrophenyl 3-chloropropanoate (CAS 89073-36-9), with molecular formula C9H8ClNO4 and molecular weight 229.01 g/mol. IUPAC: (4-nitrophenyl) 3-chloropropanoate.
Chemical Property Profile of 4-Nitrophenyl 3-chloropropanoate
Property Insights of 4-Nitrophenyl 3-chloropropanoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophenyl 3-chloropropanoate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl 3-chloropropanoate. Following Lipinski's Rule of Five, 4-Nitrophenyl 3-chloropropanoate 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 4-Nitrophenyl 3-chloropropanoate?
The CAS number of 4-Nitrophenyl 3-chloropropanoate is 89073-36-9.
What is the molecular formula of 4-Nitrophenyl 3-chloropropanoate?
The molecular formula of 4-Nitrophenyl 3-chloropropanoate is C9H8ClNO4.
What is the molecular weight of 4-Nitrophenyl 3-chloropropanoate?
The molecular weight of 4-Nitrophenyl 3-chloropropanoate is 229.01 g/mol.
Where can I buy 4-Nitrophenyl 3-chloropropanoate?
You can request a quote for 4-Nitrophenyl 3-chloropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl 3-chloropropanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl 3-chloropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.