1,3-Dimethyl 2-(prop-2-yn-1-yl)propanedioate
TL;DR: 1,3-Dimethyl 2-(prop-2-yn-1-yl)propanedioate (CAS 95124-07-5) is a chemical compound with molecular formula C8H10O4 and molecular weight 170.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-prop-2-ynylpropanedioate
Also Known As: Dimethyl propargylmalonate, Dimethylpropargylmalonate, Dimethyl 2-prop-2-ynylpropanedioate, Dimethyl propargymalonate, Dimethyl propar gylmalonate
| Molecular Formula | C8H10O4 |
|---|---|
| Molecular Weight | 170.06 g/mol |
| LogP | -0.0281 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.0579 |
| Heavy Atoms | 12 |
| Complexity | 197.58798 |
Chemical Identifiers
| CAS Number | 95124-07-5 |
|---|---|
| SMILES | COC(=O)C(CC#C)C(=O)OC |
Product Overview
1,3-Dimethyl 2-(prop-2-yn-1-yl)propanedioate (CAS 95124-07-5), with molecular formula C8H10O4 and molecular weight 170.06 g/mol. IUPAC: dimethyl 2-prop-2-ynylpropanedioate.
Chemical Property Profile of 1,3-Dimethyl 2-(prop-2-yn-1-yl)propanedioate
Property Insights of 1,3-Dimethyl 2-(prop-2-yn-1-yl)propanedioate
The XLogP value of -0.0281 indicates that 1,3-Dimethyl 2-(prop-2-yn-1-yl)propanedioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Dimethyl 2-(prop-2-yn-1-yl)propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethyl 2-(prop-2-yn-1-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 1,3-Dimethyl 2-(prop-2-yn-1-yl)propanedioate?
The CAS number of 1,3-Dimethyl 2-(prop-2-yn-1-yl)propanedioate is 95124-07-5.
What is the molecular formula of 1,3-Dimethyl 2-(prop-2-yn-1-yl)propanedioate?
The molecular formula of 1,3-Dimethyl 2-(prop-2-yn-1-yl)propanedioate is C8H10O4.
What is the molecular weight of 1,3-Dimethyl 2-(prop-2-yn-1-yl)propanedioate?
The molecular weight of 1,3-Dimethyl 2-(prop-2-yn-1-yl)propanedioate is 170.06 g/mol.
Where can I buy 1,3-Dimethyl 2-(prop-2-yn-1-yl)propanedioate?
You can request a quote for 1,3-Dimethyl 2-(prop-2-yn-1-yl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl 2-(prop-2-yn-1-yl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl 2-(prop-2-yn-1-yl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.