Ethanol, 2,2-dichloro-2-(phenylmethoxy)-, propanoate
TL;DR: Ethanol, 2,2-dichloro-2-(phenylmethoxy)-, propanoate (CAS 54890-05-0) is a chemical compound with molecular formula C12H14Cl2O3 and molecular weight 276.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-dichloro-2-phenylmethoxyethyl) propanoate
Also Known As: 2,2-Dichloro-2- ethanolpropanoate, 2-(benzyloxy)-2,2-dichloroethyl propanoate, 2,2-Dichloro-2-(phenylmethoxy)ethanol propanoate, 2-(Benzyloxy)-2,2-dichloroethyl propionate, Ethanol, 2,2-dichloro-2-(phenylmethoxy)-, propanoate
| Molecular Formula | C12H14Cl2O3 |
|---|---|
| Molecular Weight | 276.03 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 276.032 |
| Heavy Atoms | 17 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 54890-05-0 |
|---|---|
| SMILES | CCC(=O)OCC(OCC1=CC=CC=C1)(Cl)Cl |
| InChIKey | BLGWMWCCSSFBRO-UHFFFAOYSA-N |
Product Overview
Ethanol, 2,2-dichloro-2-(phenylmethoxy)-, propanoate (CAS 54890-05-0), with molecular formula C12H14Cl2O3 and molecular weight 276.03 g/mol. IUPAC: (2,2-dichloro-2-phenylmethoxyethyl) propanoate.
Chemical Property Profile of Ethanol, 2,2-dichloro-2-(phenylmethoxy)-, propanoate
Property Insights of Ethanol, 2,2-dichloro-2-(phenylmethoxy)-, propanoate
The XLogP value of 3.2 indicates that Ethanol, 2,2-dichloro-2-(phenylmethoxy)-, propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Ethanol, 2,2-dichloro-2-(phenylmethoxy)-, propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanol, 2,2-dichloro-2-(phenylmethoxy)-, propanoate has 0 hydrogen bond donor(s) and 3 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 Ethanol, 2,2-dichloro-2-(phenylmethoxy)-, propanoate?
The CAS number of Ethanol, 2,2-dichloro-2-(phenylmethoxy)-, propanoate is 54890-05-0.
What is the molecular formula of Ethanol, 2,2-dichloro-2-(phenylmethoxy)-, propanoate?
The molecular formula of Ethanol, 2,2-dichloro-2-(phenylmethoxy)-, propanoate is C12H14Cl2O3.
What is the molecular weight of Ethanol, 2,2-dichloro-2-(phenylmethoxy)-, propanoate?
The molecular weight of Ethanol, 2,2-dichloro-2-(phenylmethoxy)-, propanoate is 276.03 g/mol.
Where can I buy Ethanol, 2,2-dichloro-2-(phenylmethoxy)-, propanoate?
You can request a quote for Ethanol, 2,2-dichloro-2-(phenylmethoxy)-, propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanol, 2,2-dichloro-2-(phenylmethoxy)-, propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 2,2-dichloro-2-(phenylmethoxy)-, propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.