Diethyl 2-acetamido-2-(cyclohexylmethyl)propanedioate
TL;DR: Diethyl 2-acetamido-2-(cyclohexylmethyl)propanedioate (CAS 101426-47-5) is a chemical compound with molecular formula C16H27NO5 and molecular weight 313.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-acetamido-2-(cyclohexylmethyl)propanedioate
Also Known As: diethyl(acetylamino)(cyclohexylmethyl)propanedioate, diethyl 2-acetamido-2-(cyclohexylmethyl)propanedioate, 2-acetylamino-2-cyclohexylmethylmalonic acid diethyl ester
| Molecular Formula | C16H27NO5 |
|---|---|
| Molecular Weight | 313.19 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 313.18893 |
| Heavy Atoms | 22 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 101426-47-5 |
|---|---|
| SMILES | CCOC(=O)C(CC1CCCCC1)(C(=O)OCC)NC(=O)C |
| InChIKey | DTINKGOQNGVIQN-UHFFFAOYSA-N |
Product Overview
Diethyl 2-acetamido-2-(cyclohexylmethyl)propanedioate (CAS 101426-47-5), with molecular formula C16H27NO5 and molecular weight 313.19 g/mol. IUPAC: diethyl 2-acetamido-2-(cyclohexylmethyl)propanedioate.
Chemical Property Profile of Diethyl 2-acetamido-2-(cyclohexylmethyl)propanedioate
Property Insights of Diethyl 2-acetamido-2-(cyclohexylmethyl)propanedioate
The XLogP value of 3.2 indicates that Diethyl 2-acetamido-2-(cyclohexylmethyl)propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-acetamido-2-(cyclohexylmethyl)propanedioate. Following Lipinski's Rule of Five, Diethyl 2-acetamido-2-(cyclohexylmethyl)propanedioate 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-(cyclohexylmethyl)propanedioate?
The CAS number of Diethyl 2-acetamido-2-(cyclohexylmethyl)propanedioate is 101426-47-5.
What is the molecular formula of Diethyl 2-acetamido-2-(cyclohexylmethyl)propanedioate?
The molecular formula of Diethyl 2-acetamido-2-(cyclohexylmethyl)propanedioate is C16H27NO5.
What is the molecular weight of Diethyl 2-acetamido-2-(cyclohexylmethyl)propanedioate?
The molecular weight of Diethyl 2-acetamido-2-(cyclohexylmethyl)propanedioate is 313.19 g/mol.
Where can I buy Diethyl 2-acetamido-2-(cyclohexylmethyl)propanedioate?
You can request a quote for Diethyl 2-acetamido-2-(cyclohexylmethyl)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-acetamido-2-(cyclohexylmethyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-acetamido-2-(cyclohexylmethyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.