diethyl (2S,3S)-3-hydroxy-2-prop-2-ynylpentanedioate
TL;DR: diethyl (2S,3S)-3-hydroxy-2-prop-2-ynylpentanedioate (CAS 147528-65-2) is a chemical compound with molecular formula C12H18O5 and molecular weight 242.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl (2S,3S)-3-hydroxy-2-prop-2-ynylpentanedioate
Also Known As: diethyl (2S,3S)-2-propargyl-3-hydroxyglutarate, Diethyl (2S,3S)-3-hydroxy-2-prop-2-ynyl-pentanedioate, (2S,3S)-2-Propargyl-3-hydroxyglutaric acid diethyl ester, 1,5-diethyl (2S,3S)-3-hydroxy-2-(prop-2-yn-1-yl)pentanedioate
| Molecular Formula | C12H18O5 |
|---|---|
| Molecular Weight | 242.12 g/mol |
| LogP | 0.5031 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 242.11542 |
| Heavy Atoms | 17 |
| Complexity | 291.76135 |
Chemical Identifiers
| CAS Number | 147528-65-2 |
|---|---|
| SMILES | CCOC(=O)C[C@@H]([C@H](CC#C)C(=O)OCC)O |
Product Overview
diethyl (2S,3S)-3-hydroxy-2-prop-2-ynylpentanedioate (CAS 147528-65-2), with molecular formula C12H18O5 and molecular weight 242.12 g/mol. IUPAC: diethyl (2S,3S)-3-hydroxy-2-prop-2-ynylpentanedioate.
Chemical Property Profile of diethyl (2S,3S)-3-hydroxy-2-prop-2-ynylpentanedioate
Property Insights of diethyl (2S,3S)-3-hydroxy-2-prop-2-ynylpentanedioate
The XLogP value of 0.5031 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl (2S,3S)-3-hydroxy-2-prop-2-ynylpentanedioate. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl (2S,3S)-3-hydroxy-2-prop-2-ynylpentanedioate. Following Lipinski's Rule of Five, diethyl (2S,3S)-3-hydroxy-2-prop-2-ynylpentanedioate 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 diethyl (2S,3S)-3-hydroxy-2-prop-2-ynylpentanedioate?
The CAS number of diethyl (2S,3S)-3-hydroxy-2-prop-2-ynylpentanedioate is 147528-65-2.
What is the molecular formula of diethyl (2S,3S)-3-hydroxy-2-prop-2-ynylpentanedioate?
The molecular formula of diethyl (2S,3S)-3-hydroxy-2-prop-2-ynylpentanedioate is C12H18O5.
What is the molecular weight of diethyl (2S,3S)-3-hydroxy-2-prop-2-ynylpentanedioate?
The molecular weight of diethyl (2S,3S)-3-hydroxy-2-prop-2-ynylpentanedioate is 242.12 g/mol.
Where can I buy diethyl (2S,3S)-3-hydroxy-2-prop-2-ynylpentanedioate?
You can request a quote for diethyl (2S,3S)-3-hydroxy-2-prop-2-ynylpentanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl (2S,3S)-3-hydroxy-2-prop-2-ynylpentanedioate?
Yes, KEHONG BIO provides custom synthesis services for diethyl (2S,3S)-3-hydroxy-2-prop-2-ynylpentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.