4-Chloro-alpha-(2-chloroethyl)-beta,beta-dimethoxyphenethyl alcohol
TL;DR: 4-Chloro-alpha-(2-chloroethyl)-beta,beta-dimethoxyphenethyl alcohol (CAS 94109-63-4) is a chemical compound with molecular formula C12H16Cl2O3 and molecular weight 278.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-(4-chlorophenyl)-1,1-dimethoxybutan-2-ol
Also Known As: EINECS 302-503-3, 4-chloro-1-(4-chlorophenyl)-1,1-dimethoxybutan-2-ol, 4-Chloro-alpha-(2-chloroethyl)-beta,beta-dimethoxyphenethyl alcohol, 4-Chloro-alpha-(2-chloroethyl)-beta,beta-dimethoxybenzeneethanol
| Molecular Formula | C12H16Cl2O3 |
|---|---|
| Molecular Weight | 278.05 g/mol |
| LogP | 2.7754 |
| Topological Polar Surface Area | 38.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 278.04764 |
| Heavy Atoms | 17 |
| Complexity | 336.10892 |
Chemical Identifiers
| CAS Number | 94109-63-4 |
|---|---|
| SMILES | COC(C1=CC=C(C=C1)Cl)(C(CCCl)O)OC |
Product Overview
4-Chloro-alpha-(2-chloroethyl)-beta,beta-dimethoxyphenethyl alcohol (CAS 94109-63-4), with molecular formula C12H16Cl2O3 and molecular weight 278.05 g/mol. IUPAC: 4-chloro-1-(4-chlorophenyl)-1,1-dimethoxybutan-2-ol.
Chemical Property Profile of 4-Chloro-alpha-(2-chloroethyl)-beta,beta-dimethoxyphenethyl alcohol
Property Insights of 4-Chloro-alpha-(2-chloroethyl)-beta,beta-dimethoxyphenethyl alcohol
The XLogP value of 2.7754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-alpha-(2-chloroethyl)-beta,beta-dimethoxyphenethyl alcohol. With a topological polar surface area (TPSA) of 38.69 Ų, 4-Chloro-alpha-(2-chloroethyl)-beta,beta-dimethoxyphenethyl alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-alpha-(2-chloroethyl)-beta,beta-dimethoxyphenethyl alcohol has 1 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 4-Chloro-alpha-(2-chloroethyl)-beta,beta-dimethoxyphenethyl alcohol?
The CAS number of 4-Chloro-alpha-(2-chloroethyl)-beta,beta-dimethoxyphenethyl alcohol is 94109-63-4.
What is the molecular formula of 4-Chloro-alpha-(2-chloroethyl)-beta,beta-dimethoxyphenethyl alcohol?
The molecular formula of 4-Chloro-alpha-(2-chloroethyl)-beta,beta-dimethoxyphenethyl alcohol is C12H16Cl2O3.
What is the molecular weight of 4-Chloro-alpha-(2-chloroethyl)-beta,beta-dimethoxyphenethyl alcohol?
The molecular weight of 4-Chloro-alpha-(2-chloroethyl)-beta,beta-dimethoxyphenethyl alcohol is 278.05 g/mol.
Where can I buy 4-Chloro-alpha-(2-chloroethyl)-beta,beta-dimethoxyphenethyl alcohol?
You can request a quote for 4-Chloro-alpha-(2-chloroethyl)-beta,beta-dimethoxyphenethyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-alpha-(2-chloroethyl)-beta,beta-dimethoxyphenethyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-alpha-(2-chloroethyl)-beta,beta-dimethoxyphenethyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.