Dimethyl 2-(2,2,2-trichloro-1-hydroxyethyl)malonate
TL;DR: Dimethyl 2-(2,2,2-trichloro-1-hydroxyethyl)malonate (CAS 98547-11-6) is a chemical compound with molecular formula C7H9Cl3O5 and molecular weight 277.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(2,2,2-trichloro-1-hydroxyethyl)propanedioate
Also Known As: dimethyl 2-(2,2,2-trichloro-1-hydroxyethyl)malonate, dimethyl 2-(2,2,2-trichloro-1-hydroxyethyl)propanedioate, 2-(2,2,2-trichloro-1-hydroxy-ethyl)-malonic acid dimethyl ester
| Molecular Formula | C7H9Cl3O5 |
|---|---|
| Molecular Weight | 277.95 g/mol |
| LogP | 0.6797 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.95157 |
| Heavy Atoms | 15 |
| Complexity | 233.50044 |
Chemical Identifiers
| CAS Number | 98547-11-6 |
|---|---|
| SMILES | COC(=O)C(C(C(Cl)(Cl)Cl)O)C(=O)OC |
Product Overview
Dimethyl 2-(2,2,2-trichloro-1-hydroxyethyl)malonate (CAS 98547-11-6), with molecular formula C7H9Cl3O5 and molecular weight 277.95 g/mol. IUPAC: dimethyl 2-(2,2,2-trichloro-1-hydroxyethyl)propanedioate.
Chemical Property Profile of Dimethyl 2-(2,2,2-trichloro-1-hydroxyethyl)malonate
Property Insights of Dimethyl 2-(2,2,2-trichloro-1-hydroxyethyl)malonate
The XLogP value of 0.6797 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-(2,2,2-trichloro-1-hydroxyethyl)malonate. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-(2,2,2-trichloro-1-hydroxyethyl)malonate. Following Lipinski's Rule of Five, Dimethyl 2-(2,2,2-trichloro-1-hydroxyethyl)malonate has 1 hydrogen bond donor(s) and 5 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 Dimethyl 2-(2,2,2-trichloro-1-hydroxyethyl)malonate?
The CAS number of Dimethyl 2-(2,2,2-trichloro-1-hydroxyethyl)malonate is 98547-11-6.
What is the molecular formula of Dimethyl 2-(2,2,2-trichloro-1-hydroxyethyl)malonate?
The molecular formula of Dimethyl 2-(2,2,2-trichloro-1-hydroxyethyl)malonate is C7H9Cl3O5.
What is the molecular weight of Dimethyl 2-(2,2,2-trichloro-1-hydroxyethyl)malonate?
The molecular weight of Dimethyl 2-(2,2,2-trichloro-1-hydroxyethyl)malonate is 277.95 g/mol.
Where can I buy Dimethyl 2-(2,2,2-trichloro-1-hydroxyethyl)malonate?
You can request a quote for Dimethyl 2-(2,2,2-trichloro-1-hydroxyethyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-(2,2,2-trichloro-1-hydroxyethyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(2,2,2-trichloro-1-hydroxyethyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.