1-O-ethyl 5-O-methyl 2-acetyl-2-(2-cyanoethyl)pentanedioate
TL;DR: 1-O-ethyl 5-O-methyl 2-acetyl-2-(2-cyanoethyl)pentanedioate (CAS 1810-80-6) is a chemical compound with molecular formula C13H19NO5 and molecular weight 269.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-ethyl 5-O-methyl 2-acetyl-2-(2-cyanoethyl)pentanedioate
Also Known As: 1-O-ethyl 5-O-methyl 2-acetyl-2-(2-cyanoethyl)pentanedioate, 1-ethyl 5-methyl 2-acetyl-2-(2-cyanoethyl)pentanedioate, 1-ETHYL 5-METHYL 2-ACETYL-2-(2-CYANOETHYL)-GLUTARATE, RefChem:232519
| Molecular Formula | C13H19NO5 |
|---|---|
| Molecular Weight | 269.13 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 269.1263 |
| Heavy Atoms | 19 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 1810-80-6 |
|---|---|
| SMILES | CCOC(=O)C(CCC#N)(CCC(=O)OC)C(=O)C |
| InChIKey | HCESWJHJWYSATN-UHFFFAOYSA-N |
Product Overview
1-O-ethyl 5-O-methyl 2-acetyl-2-(2-cyanoethyl)pentanedioate (CAS 1810-80-6), with molecular formula C13H19NO5 and molecular weight 269.13 g/mol. IUPAC: 1-O-ethyl 5-O-methyl 2-acetyl-2-(2-cyanoethyl)pentanedioate.
Chemical Property Profile of 1-O-ethyl 5-O-methyl 2-acetyl-2-(2-cyanoethyl)pentanedioate
Property Insights of 1-O-ethyl 5-O-methyl 2-acetyl-2-(2-cyanoethyl)pentanedioate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-O-ethyl 5-O-methyl 2-acetyl-2-(2-cyanoethyl)pentanedioate. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-O-ethyl 5-O-methyl 2-acetyl-2-(2-cyanoethyl)pentanedioate. Following Lipinski's Rule of Five, 1-O-ethyl 5-O-methyl 2-acetyl-2-(2-cyanoethyl)pentanedioate has 0 hydrogen bond donor(s) and 6 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-O-ethyl 5-O-methyl 2-acetyl-2-(2-cyanoethyl)pentanedioate?
The CAS number of 1-O-ethyl 5-O-methyl 2-acetyl-2-(2-cyanoethyl)pentanedioate is 1810-80-6.
What is the molecular formula of 1-O-ethyl 5-O-methyl 2-acetyl-2-(2-cyanoethyl)pentanedioate?
The molecular formula of 1-O-ethyl 5-O-methyl 2-acetyl-2-(2-cyanoethyl)pentanedioate is C13H19NO5.
What is the molecular weight of 1-O-ethyl 5-O-methyl 2-acetyl-2-(2-cyanoethyl)pentanedioate?
The molecular weight of 1-O-ethyl 5-O-methyl 2-acetyl-2-(2-cyanoethyl)pentanedioate is 269.13 g/mol.
Where can I buy 1-O-ethyl 5-O-methyl 2-acetyl-2-(2-cyanoethyl)pentanedioate?
You can request a quote for 1-O-ethyl 5-O-methyl 2-acetyl-2-(2-cyanoethyl)pentanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-O-ethyl 5-O-methyl 2-acetyl-2-(2-cyanoethyl)pentanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1-O-ethyl 5-O-methyl 2-acetyl-2-(2-cyanoethyl)pentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.