Heptyl 2-chlorobutanoate
TL;DR: Heptyl 2-chlorobutanoate (CAS 88395-75-9) is a chemical compound with molecular formula C11H21ClO2 and molecular weight 220.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl 2-chlorobutanoate
Also Known As: Heptyl 2-chlorobutanoate, 2-Chlor-buttersaeure-heptylester, Butanoic acid, 2-chloro, heptyl ester, Butanoic acid, 2-chloro-, heptyl ester, RefChem:347299
| Molecular Formula | C11H21ClO2 |
|---|---|
| Molecular Weight | 220.12 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 220.123 |
| Heavy Atoms | 14 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 88395-75-9 |
|---|---|
| SMILES | CCCCCCCOC(=O)C(CC)Cl |
| InChIKey | SLAXIYNQTGZROJ-UHFFFAOYSA-N |
Product Overview
Heptyl 2-chlorobutanoate (CAS 88395-75-9), with molecular formula C11H21ClO2 and molecular weight 220.12 g/mol. IUPAC: heptyl 2-chlorobutanoate.
Chemical Property Profile of Heptyl 2-chlorobutanoate
Property Insights of Heptyl 2-chlorobutanoate
The XLogP value of 4.5 indicates that Heptyl 2-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, Heptyl 2-chlorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl 2-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 Heptyl 2-chlorobutanoate?
The CAS number of Heptyl 2-chlorobutanoate is 88395-75-9.
What is the molecular formula of Heptyl 2-chlorobutanoate?
The molecular formula of Heptyl 2-chlorobutanoate is C11H21ClO2.
What is the molecular weight of Heptyl 2-chlorobutanoate?
The molecular weight of Heptyl 2-chlorobutanoate is 220.12 g/mol.
Where can I buy Heptyl 2-chlorobutanoate?
You can request a quote for Heptyl 2-chlorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl 2-chlorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl 2-chlorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.