Diethyl 2-(1-amino-2,2,2-trichloroethylidene)malonate
TL;DR: Diethyl 2-(1-amino-2,2,2-trichloroethylidene)malonate (CAS 22071-11-0) is a chemical compound with molecular formula C9H12Cl3NO4 and molecular weight 302.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(1-amino-2,2,2-trichloroethylidene)propanedioate
Also Known As: Diethyl 2-(1-amino-2,2,2-trichloroethylidene)malonate, diethyl (1-amino-2,2,2-trichloroethylidene)propanedioate, diethyl 2-(1-amino-2,2,2-trichloroethylidene)propanedioate, diethyl (1-amino-2,2,2-trichloroethylidene)malonate, diethyl 2-(1-amino-2,2,2-trichloro-ethylidene)propanedioate
| Molecular Formula | C9H12Cl3NO4 |
|---|---|
| Molecular Weight | 302.98 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 302.9832 |
| Heavy Atoms | 17 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 22071-11-0 |
|---|---|
| SMILES | CCOC(=O)C(=C(C(Cl)(Cl)Cl)N)C(=O)OCC |
| InChIKey | OFQYNRPMURUIIV-UHFFFAOYSA-N |
Product Overview
Diethyl 2-(1-amino-2,2,2-trichloroethylidene)malonate (CAS 22071-11-0), with molecular formula C9H12Cl3NO4 and molecular weight 302.98 g/mol. IUPAC: diethyl 2-(1-amino-2,2,2-trichloroethylidene)propanedioate.
Chemical Property Profile of Diethyl 2-(1-amino-2,2,2-trichloroethylidene)malonate
Property Insights of Diethyl 2-(1-amino-2,2,2-trichloroethylidene)malonate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(1-amino-2,2,2-trichloroethylidene)malonate. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(1-amino-2,2,2-trichloroethylidene)malonate. Following Lipinski's Rule of Five, Diethyl 2-(1-amino-2,2,2-trichloroethylidene)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 Diethyl 2-(1-amino-2,2,2-trichloroethylidene)malonate?
The CAS number of Diethyl 2-(1-amino-2,2,2-trichloroethylidene)malonate is 22071-11-0.
What is the molecular formula of Diethyl 2-(1-amino-2,2,2-trichloroethylidene)malonate?
The molecular formula of Diethyl 2-(1-amino-2,2,2-trichloroethylidene)malonate is C9H12Cl3NO4.
What is the molecular weight of Diethyl 2-(1-amino-2,2,2-trichloroethylidene)malonate?
The molecular weight of Diethyl 2-(1-amino-2,2,2-trichloroethylidene)malonate is 302.98 g/mol.
Where can I buy Diethyl 2-(1-amino-2,2,2-trichloroethylidene)malonate?
You can request a quote for Diethyl 2-(1-amino-2,2,2-trichloroethylidene)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(1-amino-2,2,2-trichloroethylidene)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(1-amino-2,2,2-trichloroethylidene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.