6-Chlorohexanoic acid, 4-nitrophenyl ester
TL;DR: 6-Chlorohexanoic acid, 4-nitrophenyl ester (CAS 61167-47-3) 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.
(4-nitrophenyl) 6-chlorohexanoate
Also Known As: (4-nitrophenyl) 6-chlorohexanoate, 6-Chlorohexanoic acid, 4-nitrophenyl ester, 4-NITROPHENYL 6-CHLOROHEXANOATE, Hexanoic acid, 6-chloro-, 4-nitrophenyl ester, RefChem:308122
| Molecular Formula | C12H14ClNO4 |
|---|---|
| Molecular Weight | 271.06 g/mol |
| LogP | 3.1 |
| 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 | 61167-47-3 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC(=O)CCCCCCl |
| InChIKey | ILPNRCAJUCEDJY-UHFFFAOYSA-N |
Product Overview
6-Chlorohexanoic acid, 4-nitrophenyl ester (CAS 61167-47-3), with molecular formula C12H14ClNO4 and molecular weight 271.06 g/mol. IUPAC: (4-nitrophenyl) 6-chlorohexanoate.
Chemical Property Profile of 6-Chlorohexanoic acid, 4-nitrophenyl ester
Property Insights of 6-Chlorohexanoic acid, 4-nitrophenyl ester
The XLogP value of 3.1 indicates that 6-Chlorohexanoic acid, 4-nitrophenyl ester 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 6-Chlorohexanoic acid, 4-nitrophenyl ester. Following Lipinski's Rule of Five, 6-Chlorohexanoic acid, 4-nitrophenyl ester 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 6-Chlorohexanoic acid, 4-nitrophenyl ester?
The CAS number of 6-Chlorohexanoic acid, 4-nitrophenyl ester is 61167-47-3.
What is the molecular formula of 6-Chlorohexanoic acid, 4-nitrophenyl ester?
The molecular formula of 6-Chlorohexanoic acid, 4-nitrophenyl ester is C12H14ClNO4.
What is the molecular weight of 6-Chlorohexanoic acid, 4-nitrophenyl ester?
The molecular weight of 6-Chlorohexanoic acid, 4-nitrophenyl ester is 271.06 g/mol.
Where can I buy 6-Chlorohexanoic acid, 4-nitrophenyl ester?
You can request a quote for 6-Chlorohexanoic acid, 4-nitrophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chlorohexanoic acid, 4-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 6-Chlorohexanoic acid, 4-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.