甲酸乙烯酯
TL;DR: 甲酸乙烯酯 (CAS 692-45-5) is a chemical compound with molecular formula C8H10F3NO5 and molecular weight 257.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲酸乙烯酯
dimethyl 2-[(2,2,2-trifluoroacetyl)amino]butanedioate
Also Known As: Aspartic acid, dimethyl ester, L-, dimethyl n-(trifluoroacetyl)aspartate, L-Aspartic acid, N-(trifluoroacetyl)-, dimethyl ester, Aspartic acid, N-(trifluoroacetyl)-, dimethyl ester, L-, dimethyl 2-[(2,2,2-trifluoroacetyl)amino]butanedioate
| Molecular Formula | C8H10F3NO5 |
|---|---|
| Molecular Weight | 257.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 257.05112 |
| Heavy Atoms | 17 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 692-45-5 |
|---|---|
| SMILES | COC(=O)CC(C(=O)OC)NC(=O)C(F)(F)F |
| InChIKey | BMMOKCXZISDJCQ-UHFFFAOYSA-N |
Product Overview
甲酸乙烯酯 (CAS 692-45-5), with molecular formula C8H10F3NO5 and molecular weight 257.05 g/mol. IUPAC: dimethyl 2-[(2,2,2-trifluoroacetyl)amino]butanedioate.
Chemical Property Profile of 甲酸乙烯酯
Property Insights of 甲酸乙烯酯
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲酸乙烯酯. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 甲酸乙烯酯. Following Lipinski's Rule of Five, 甲酸乙烯酯 has 1 hydrogen bond donor(s) and 8 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 甲酸乙烯酯?
The CAS number of 甲酸乙烯酯 is 692-45-5.
What is the molecular formula of 甲酸乙烯酯?
The molecular formula of 甲酸乙烯酯 is C8H10F3NO5.
What is the molecular weight of 甲酸乙烯酯?
The molecular weight of 甲酸乙烯酯 is 257.05 g/mol.
Where can I buy 甲酸乙烯酯?
You can request a quote for 甲酸乙烯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲酸乙烯酯?
Yes, KEHONG BIO provides custom synthesis services for 甲酸乙烯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.