1,3-Dimethyl 2-(1-amino-2,2,2-trichloroethylidene)propanedioate
TL;DR: 1,3-Dimethyl 2-(1-amino-2,2,2-trichloroethylidene)propanedioate (CAS 22071-01-8) is a chemical compound with molecular formula C7H8Cl3NO4 and molecular weight 274.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(1-amino-2,2,2-trichloroethylidene)propanedioate
Also Known As: dimethyl (1-amino-2,2,2-trichloroethylidene)propanedioate, 1,3-Dimethyl 2-(1-amino-2,2,2-trichloroethylidene)propanedioate, Dimethyl 2-(1-amino-2,2,2-trichloro-ethylidene)propanedioate, dimethyl 2-(1-amino-2,2,2-trichloroethylidene)propanedioate, RefChem:218679
| Molecular Formula | C7H8Cl3NO4 |
|---|---|
| Molecular Weight | 274.95 g/mol |
| LogP | 0.9154 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.9519 |
| Heavy Atoms | 15 |
| Complexity | 289.84738 |
Chemical Identifiers
| CAS Number | 22071-01-8 |
|---|---|
| SMILES | COC(=O)C(=C(C(Cl)(Cl)Cl)N)C(=O)OC |
Product Overview
1,3-Dimethyl 2-(1-amino-2,2,2-trichloroethylidene)propanedioate (CAS 22071-01-8), with molecular formula C7H8Cl3NO4 and molecular weight 274.95 g/mol. IUPAC: dimethyl 2-(1-amino-2,2,2-trichloroethylidene)propanedioate.
Chemical Property Profile of 1,3-Dimethyl 2-(1-amino-2,2,2-trichloroethylidene)propanedioate
Property Insights of 1,3-Dimethyl 2-(1-amino-2,2,2-trichloroethylidene)propanedioate
The XLogP value of 0.9154 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl 2-(1-amino-2,2,2-trichloroethylidene)propanedioate. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl 2-(1-amino-2,2,2-trichloroethylidene)propanedioate. Following Lipinski's Rule of Five, 1,3-Dimethyl 2-(1-amino-2,2,2-trichloroethylidene)propanedioate 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 1,3-Dimethyl 2-(1-amino-2,2,2-trichloroethylidene)propanedioate?
The CAS number of 1,3-Dimethyl 2-(1-amino-2,2,2-trichloroethylidene)propanedioate is 22071-01-8.
What is the molecular formula of 1,3-Dimethyl 2-(1-amino-2,2,2-trichloroethylidene)propanedioate?
The molecular formula of 1,3-Dimethyl 2-(1-amino-2,2,2-trichloroethylidene)propanedioate is C7H8Cl3NO4.
What is the molecular weight of 1,3-Dimethyl 2-(1-amino-2,2,2-trichloroethylidene)propanedioate?
The molecular weight of 1,3-Dimethyl 2-(1-amino-2,2,2-trichloroethylidene)propanedioate is 274.95 g/mol.
Where can I buy 1,3-Dimethyl 2-(1-amino-2,2,2-trichloroethylidene)propanedioate?
You can request a quote for 1,3-Dimethyl 2-(1-amino-2,2,2-trichloroethylidene)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl 2-(1-amino-2,2,2-trichloroethylidene)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl 2-(1-amino-2,2,2-trichloroethylidene)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.