1-(3,3-Dimethyl-1,2-dioxopentyl)-L-proline methyl ester
TL;DR: 1-(3,3-Dimethyl-1,2-dioxopentyl)-L-proline methyl ester (CAS 18627-00-4) is a chemical compound with molecular formula C13H21NO4 and molecular weight 255.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate
Also Known As: 2-hexadecan-2-ylphenol, methyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate, 6255AD, Methyl(2S)-1-(1,2-dioxo-3,3-dimethypentyl)-2-pyrrolidinecarboxylate, Methyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)-pyrrolidine-2-carboxylate
| Molecular Formula | C13H21NO4 |
|---|---|
| Molecular Weight | 255.15 g/mol |
| LogP | 1.1557 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.14706 |
| Heavy Atoms | 18 |
| Complexity | 362.00275 |
Chemical Identifiers
| CAS Number | 18627-00-4 |
|---|---|
| SMILES | CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OC |
Product Overview
1-(3,3-Dimethyl-1,2-dioxopentyl)-L-proline methyl ester (CAS 18627-00-4), with molecular formula C13H21NO4 and molecular weight 255.15 g/mol. IUPAC: methyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate.
Chemical Property Profile of 1-(3,3-Dimethyl-1,2-dioxopentyl)-L-proline methyl ester
Property Insights of 1-(3,3-Dimethyl-1,2-dioxopentyl)-L-proline methyl ester
The XLogP value of 1.1557 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,3-Dimethyl-1,2-dioxopentyl)-L-proline methyl ester. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,3-Dimethyl-1,2-dioxopentyl)-L-proline methyl ester. Following Lipinski's Rule of Five, 1-(3,3-Dimethyl-1,2-dioxopentyl)-L-proline methyl ester has 0 hydrogen bond donor(s) and 4 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-(3,3-Dimethyl-1,2-dioxopentyl)-L-proline methyl ester?
The CAS number of 1-(3,3-Dimethyl-1,2-dioxopentyl)-L-proline methyl ester is 18627-00-4.
What is the molecular formula of 1-(3,3-Dimethyl-1,2-dioxopentyl)-L-proline methyl ester?
The molecular formula of 1-(3,3-Dimethyl-1,2-dioxopentyl)-L-proline methyl ester is C13H21NO4.
What is the molecular weight of 1-(3,3-Dimethyl-1,2-dioxopentyl)-L-proline methyl ester?
The molecular weight of 1-(3,3-Dimethyl-1,2-dioxopentyl)-L-proline methyl ester is 255.15 g/mol.
Where can I buy 1-(3,3-Dimethyl-1,2-dioxopentyl)-L-proline methyl ester?
You can request a quote for 1-(3,3-Dimethyl-1,2-dioxopentyl)-L-proline methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,3-Dimethyl-1,2-dioxopentyl)-L-proline methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,3-Dimethyl-1,2-dioxopentyl)-L-proline methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.