2-Butyloctyl 3-chloropropanoate
TL;DR: 2-Butyloctyl 3-chloropropanoate (CAS 78987-66-3) is a chemical compound with molecular formula C15H29ClO2 and molecular weight 276.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyloctyl 3-chloropropanoate
Also Known As: 2-butyloctyl 3-chloropropanoate, RefChem:258087
| Molecular Formula | C15H29ClO2 |
|---|---|
| Molecular Weight | 276.19 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 276.1856 |
| Heavy Atoms | 18 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 78987-66-3 |
|---|---|
| SMILES | CCCCCCC(CCCC)COC(=O)CCCl |
| InChIKey | QHLADRPWWWYHEX-UHFFFAOYSA-N |
Product Overview
2-Butyloctyl 3-chloropropanoate (CAS 78987-66-3), with molecular formula C15H29ClO2 and molecular weight 276.19 g/mol. IUPAC: 2-butyloctyl 3-chloropropanoate.
Chemical Property Profile of 2-Butyloctyl 3-chloropropanoate
Property Insights of 2-Butyloctyl 3-chloropropanoate
The XLogP value of 5.9 indicates that 2-Butyloctyl 3-chloropropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Butyloctyl 3-chloropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyloctyl 3-chloropropanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Butyloctyl 3-chloropropanoate?
The CAS number of 2-Butyloctyl 3-chloropropanoate is 78987-66-3.
What is the molecular formula of 2-Butyloctyl 3-chloropropanoate?
The molecular formula of 2-Butyloctyl 3-chloropropanoate is C15H29ClO2.
What is the molecular weight of 2-Butyloctyl 3-chloropropanoate?
The molecular weight of 2-Butyloctyl 3-chloropropanoate is 276.19 g/mol.
Where can I buy 2-Butyloctyl 3-chloropropanoate?
You can request a quote for 2-Butyloctyl 3-chloropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyloctyl 3-chloropropanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyloctyl 3-chloropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.