Nonyl 4-chlorobutanoate
TL;DR: Nonyl 4-chlorobutanoate (CAS 88395-92-0) is a chemical compound with molecular formula C13H25ClO2 and molecular weight 248.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
nonyl 4-chlorobutanoate
Also Known As: Nonyl 4-chlorobutanoate, Butanoic acid,4-chloro,nonyl ester, Butanoic acid, 4-chloro, nonyl ester, Butanoic acid, 4-chloro-, nonyl ester, RefChem:365887
| Molecular Formula | C13H25ClO2 |
|---|---|
| Molecular Weight | 248.15 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 248.15431 |
| Heavy Atoms | 16 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 88395-92-0 |
|---|---|
| SMILES | CCCCCCCCCOC(=O)CCCCl |
| InChIKey | JOHFUSYZUPEZNG-UHFFFAOYSA-N |
Product Overview
Nonyl 4-chlorobutanoate (CAS 88395-92-0), with molecular formula C13H25ClO2 and molecular weight 248.15 g/mol. IUPAC: nonyl 4-chlorobutanoate.
Chemical Property Profile of Nonyl 4-chlorobutanoate
Property Insights of Nonyl 4-chlorobutanoate
The XLogP value of 4.8 indicates that Nonyl 4-chlorobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Nonyl 4-chlorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nonyl 4-chlorobutanoate has 0 hydrogen bond donor(s) and 2 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 Nonyl 4-chlorobutanoate?
The CAS number of Nonyl 4-chlorobutanoate is 88395-92-0.
What is the molecular formula of Nonyl 4-chlorobutanoate?
The molecular formula of Nonyl 4-chlorobutanoate is C13H25ClO2.
What is the molecular weight of Nonyl 4-chlorobutanoate?
The molecular weight of Nonyl 4-chlorobutanoate is 248.15 g/mol.
Where can I buy Nonyl 4-chlorobutanoate?
You can request a quote for Nonyl 4-chlorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nonyl 4-chlorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Nonyl 4-chlorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.