Acetic acid, dichloro-, undecyl ester
TL;DR: Acetic acid, dichloro-, undecyl ester (CAS 90146-85-3) is a chemical compound with molecular formula C13H24Cl2O2 and molecular weight 282.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
undecyl 2,2-dichloroacetate
Also Known As: Undecyl dichloroacetate, undecyl 2,2-dichloroacetate, Undecyl dichloroacetate #, Acetic acid, dichloro-, undecyl ester, Dichloroacetic acid,undecyl ester
| Molecular Formula | C13H24Cl2O2 |
|---|---|
| Molecular Weight | 282.12 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 282.11533 |
| Heavy Atoms | 17 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 90146-85-3 |
|---|---|
| SMILES | CCCCCCCCCCCOC(=O)C(Cl)Cl |
| InChIKey | CLUHASIISUFUNQ-UHFFFAOYSA-N |
Product Overview
Acetic acid, dichloro-, undecyl ester (CAS 90146-85-3), with molecular formula C13H24Cl2O2 and molecular weight 282.12 g/mol. IUPAC: undecyl 2,2-dichloroacetate.
Chemical Property Profile of Acetic acid, dichloro-, undecyl ester
Property Insights of Acetic acid, dichloro-, undecyl ester
The XLogP value of 6.4 indicates that Acetic acid, dichloro-, undecyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, dichloro-, undecyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, dichloro-, undecyl ester 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 Acetic acid, dichloro-, undecyl ester?
The CAS number of Acetic acid, dichloro-, undecyl ester is 90146-85-3.
What is the molecular formula of Acetic acid, dichloro-, undecyl ester?
The molecular formula of Acetic acid, dichloro-, undecyl ester is C13H24Cl2O2.
What is the molecular weight of Acetic acid, dichloro-, undecyl ester?
The molecular weight of Acetic acid, dichloro-, undecyl ester is 282.12 g/mol.
Where can I buy Acetic acid, dichloro-, undecyl ester?
You can request a quote for Acetic acid, dichloro-, undecyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, dichloro-, undecyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, dichloro-, undecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.