Diethyl 2-acetamido-2-prop-2-ynylpropanedioate
TL;DR: Diethyl 2-acetamido-2-prop-2-ynylpropanedioate (CAS 61172-60-9) is a chemical compound with molecular formula C12H17NO5 and molecular weight 255.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-acetamido-2-prop-2-ynylpropanedioate
Also Known As: diethyl 2-acetamido-2-prop-1-ynylpropanedioate, diethyl 2-acetamido-2-prop-2-ynylpropanedioate, diethyl alpha-acetamido-alpha-propargylmalonate, Diethyl acetamido(prop-1-yn-1-yl)propanedioate, Diethyl 2-(acetylamino)-2-(2-propynyl)malonate
| Molecular Formula | C12H17NO5 |
|---|---|
| Molecular Weight | 255.11 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 255.11067 |
| Heavy Atoms | 18 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 61172-60-9 |
|---|---|
| SMILES | CCOC(=O)C(CC#C)(C(=O)OCC)NC(=O)C |
| InChIKey | VBWDQDYTMISWJS-UHFFFAOYSA-N |
Product Overview
Diethyl 2-acetamido-2-prop-2-ynylpropanedioate (CAS 61172-60-9), with molecular formula C12H17NO5 and molecular weight 255.11 g/mol. IUPAC: diethyl 2-acetamido-2-prop-2-ynylpropanedioate.
Chemical Property Profile of Diethyl 2-acetamido-2-prop-2-ynylpropanedioate
Property Insights of Diethyl 2-acetamido-2-prop-2-ynylpropanedioate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-acetamido-2-prop-2-ynylpropanedioate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-acetamido-2-prop-2-ynylpropanedioate. Following Lipinski's Rule of Five, Diethyl 2-acetamido-2-prop-2-ynylpropanedioate 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 2-acetamido-2-prop-2-ynylpropanedioate?
The CAS number of Diethyl 2-acetamido-2-prop-2-ynylpropanedioate is 61172-60-9.
What is the molecular formula of Diethyl 2-acetamido-2-prop-2-ynylpropanedioate?
The molecular formula of Diethyl 2-acetamido-2-prop-2-ynylpropanedioate is C12H17NO5.
What is the molecular weight of Diethyl 2-acetamido-2-prop-2-ynylpropanedioate?
The molecular weight of Diethyl 2-acetamido-2-prop-2-ynylpropanedioate is 255.11 g/mol.
Where can I buy Diethyl 2-acetamido-2-prop-2-ynylpropanedioate?
You can request a quote for Diethyl 2-acetamido-2-prop-2-ynylpropanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-acetamido-2-prop-2-ynylpropanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-acetamido-2-prop-2-ynylpropanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.