5-Chloropentyl 4-nitrobenzoate
TL;DR: 5-Chloropentyl 4-nitrobenzoate (CAS 4337-22-8) is a chemical compound with molecular formula C12H14ClNO4 and molecular weight 271.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloropentyl 4-nitrobenzoate
Also Known As: 5-chloropentyl 4-nitrobenzoate, 1-Pentanol, 5-chloro-,1-(4-nitrobenzoate), 1-Octanaminium,N,N-dimethyl-N-octyl-,octanoate, 654-392-9, RefChem:534982
| Molecular Formula | C12H14ClNO4 |
|---|---|
| Molecular Weight | 271.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 271.06113 |
| Heavy Atoms | 18 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 4337-22-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCCCCCCl)[N+](=O)[O-] |
| InChIKey | ICQZLWQDVROUEC-UHFFFAOYSA-N |
Product Overview
5-Chloropentyl 4-nitrobenzoate (CAS 4337-22-8), with molecular formula C12H14ClNO4 and molecular weight 271.06 g/mol. IUPAC: 5-chloropentyl 4-nitrobenzoate.
Chemical Property Profile of 5-Chloropentyl 4-nitrobenzoate
Property Insights of 5-Chloropentyl 4-nitrobenzoate
The XLogP value of 3.6 indicates that 5-Chloropentyl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloropentyl 4-nitrobenzoate. Following Lipinski's Rule of Five, 5-Chloropentyl 4-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 5-Chloropentyl 4-nitrobenzoate?
The CAS number of 5-Chloropentyl 4-nitrobenzoate is 4337-22-8.
What is the molecular formula of 5-Chloropentyl 4-nitrobenzoate?
The molecular formula of 5-Chloropentyl 4-nitrobenzoate is C12H14ClNO4.
What is the molecular weight of 5-Chloropentyl 4-nitrobenzoate?
The molecular weight of 5-Chloropentyl 4-nitrobenzoate is 271.06 g/mol.
Where can I buy 5-Chloropentyl 4-nitrobenzoate?
You can request a quote for 5-Chloropentyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloropentyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloropentyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.