![diethyl 2-[(2S)-pentan-2-yl]propanedioate structure](/static/products/266/266361-75-5.png)
diethyl 2-[(2S)-pentan-2-yl]propanedioate
TL;DR: diethyl 2-[(2S)-pentan-2-yl]propanedioate (CAS 266361-75-5) is a chemical compound with molecular formula C12H22O4 and molecular weight 230.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(2S)-pentan-2-yl]propanedioate
Also Known As: (S)-diethyl (1-methylbutyl)malonate, 1-(Methylbutyl)malonic acid diethyl ester, diethyl 2-[(2S)-pentan-2-yl]propanedioate, 1,3-diethyl 2-[(2S)-pentan-2-yl]propanedioate, (-)-2-[(S)-1-Methylbutyl]malonic acid diethyl ester
| Molecular Formula | C12H22O4 |
|---|---|
| Molecular Weight | 230.15 g/mol |
| LogP | 2.165 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 230.15181 |
| Heavy Atoms | 16 |
| Complexity | 207.05865 |
Chemical Identifiers
| CAS Number | 266361-75-5 |
|---|---|
| SMILES | CCC[C@H](C)C(C(=O)OCC)C(=O)OCC |
Product Overview
diethyl 2-[(2S)-pentan-2-yl]propanedioate (CAS 266361-75-5), with molecular formula C12H22O4 and molecular weight 230.15 g/mol. IUPAC: diethyl 2-[(2S)-pentan-2-yl]propanedioate.
Chemical Property Profile of diethyl 2-[(2S)-pentan-2-yl]propanedioate
Property Insights of diethyl 2-[(2S)-pentan-2-yl]propanedioate
The XLogP value of 2.165 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 2-[(2S)-pentan-2-yl]propanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, diethyl 2-[(2S)-pentan-2-yl]propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, diethyl 2-[(2S)-pentan-2-yl]propanedioate 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 diethyl 2-[(2S)-pentan-2-yl]propanedioate?
The CAS number of diethyl 2-[(2S)-pentan-2-yl]propanedioate is 266361-75-5.
What is the molecular formula of diethyl 2-[(2S)-pentan-2-yl]propanedioate?
The molecular formula of diethyl 2-[(2S)-pentan-2-yl]propanedioate is C12H22O4.
What is the molecular weight of diethyl 2-[(2S)-pentan-2-yl]propanedioate?
The molecular weight of diethyl 2-[(2S)-pentan-2-yl]propanedioate is 230.15 g/mol.
Where can I buy diethyl 2-[(2S)-pentan-2-yl]propanedioate?
You can request a quote for diethyl 2-[(2S)-pentan-2-yl]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 2-[(2S)-pentan-2-yl]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2-[(2S)-pentan-2-yl]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.