2,2-二氯丙酸辛酯
TL;DR: 2,2-二氯丙酸辛酯 (CAS 89876-39-1) is a chemical compound with molecular formula C11H20Cl2O2 and molecular weight 254.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-二氯丙酸辛酯
octyl 2,2-dichloropropanoate
Also Known As: OCTYL 2,2-DICHLOROPROPANOATE, Propanoic acid, 2,2-dichloro-, octyl ester, Propanoic acid,2,2-dichloro-,octyl ester
| Molecular Formula | C11H20Cl2O2 |
|---|---|
| Molecular Weight | 254.08 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 254.08403 |
| Heavy Atoms | 15 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 89876-39-1 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C(C)(Cl)Cl |
| InChIKey | ZTJCYFUMWRZZFZ-UHFFFAOYSA-N |
Product Overview
2,2-二氯丙酸辛酯 (CAS 89876-39-1), with molecular formula C11H20Cl2O2 and molecular weight 254.08 g/mol. IUPAC: octyl 2,2-dichloropropanoate.
Chemical Property Profile of 2,2-二氯丙酸辛酯
Property Insights of 2,2-二氯丙酸辛酯
The XLogP value of 4.9 indicates that 2,2-二氯丙酸辛酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,2-二氯丙酸辛酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-二氯丙酸辛酯 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 2,2-二氯丙酸辛酯?
The CAS number of 2,2-二氯丙酸辛酯 is 89876-39-1.
What is the molecular formula of 2,2-二氯丙酸辛酯?
The molecular formula of 2,2-二氯丙酸辛酯 is C11H20Cl2O2.
What is the molecular weight of 2,2-二氯丙酸辛酯?
The molecular weight of 2,2-二氯丙酸辛酯 is 254.08 g/mol.
Where can I buy 2,2-二氯丙酸辛酯?
You can request a quote for 2,2-二氯丙酸辛酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-二氯丙酸辛酯?
Yes, KEHONG BIO provides custom synthesis services for 2,2-二氯丙酸辛酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.