Diethyl 2-acetamido-2-(2,3-dibromopropyl)-malonate
TL;DR: Diethyl 2-acetamido-2-(2,3-dibromopropyl)-malonate (CAS 49761-11-7) is a chemical compound with molecular formula C12H19Br2NO5 and molecular weight 414.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-acetamido-2-(2,3-dibromopropyl)propanedioate
Also Known As: DIETHYL 2-ACETAMIDO-2-(2,3-DIBROMOPROPYL)-MALONATE, Diethyl 2-acetamido-2-(2,3-dibromopropyl)propanedioate, acetylamino-(2,3-dibromo-propyl)-malonic acid diethyl ester, 667-744-1, RefChem:587108
| Molecular Formula | C12H19Br2NO5 |
|---|---|
| Molecular Weight | 414.96 g/mol |
| LogP | 1.536 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.963 |
| Heavy Atoms | 20 |
| Complexity | 343.75684 |
Chemical Identifiers
| CAS Number | 49761-11-7 |
|---|---|
| SMILES | CCOC(=O)C(CC(CBr)Br)(C(=O)OCC)NC(=O)C |
Product Overview
Diethyl 2-acetamido-2-(2,3-dibromopropyl)-malonate (CAS 49761-11-7), with molecular formula C12H19Br2NO5 and molecular weight 414.96 g/mol. IUPAC: diethyl 2-acetamido-2-(2,3-dibromopropyl)propanedioate.
Chemical Property Profile of Diethyl 2-acetamido-2-(2,3-dibromopropyl)-malonate
Property Insights of Diethyl 2-acetamido-2-(2,3-dibromopropyl)-malonate
The XLogP value of 1.536 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-acetamido-2-(2,3-dibromopropyl)-malonate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-acetamido-2-(2,3-dibromopropyl)-malonate. Following Lipinski's Rule of Five, Diethyl 2-acetamido-2-(2,3-dibromopropyl)-malonate 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-(2,3-dibromopropyl)-malonate?
The CAS number of Diethyl 2-acetamido-2-(2,3-dibromopropyl)-malonate is 49761-11-7.
What is the molecular formula of Diethyl 2-acetamido-2-(2,3-dibromopropyl)-malonate?
The molecular formula of Diethyl 2-acetamido-2-(2,3-dibromopropyl)-malonate is C12H19Br2NO5.
What is the molecular weight of Diethyl 2-acetamido-2-(2,3-dibromopropyl)-malonate?
The molecular weight of Diethyl 2-acetamido-2-(2,3-dibromopropyl)-malonate is 414.96 g/mol.
Where can I buy Diethyl 2-acetamido-2-(2,3-dibromopropyl)-malonate?
You can request a quote for Diethyl 2-acetamido-2-(2,3-dibromopropyl)-malonate 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-(2,3-dibromopropyl)-malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-acetamido-2-(2,3-dibromopropyl)-malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.