Dimethyl (acetylamino)(phenylamino)propanedioate
TL;DR: Dimethyl (acetylamino)(phenylamino)propanedioate (CAS 103218-22-0) is a chemical compound with molecular formula C13H16N2O5 and molecular weight 280.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-acetamido-2-anilinopropanedioate
Also Known As: dimethyl 2-acetamido-2-anilinopropanedioate, dimethyl 2-acetamido-2-(phenylamino)malonate, dimethyl (acetylamino)(phenylamino)propanedioate
| Molecular Formula | C13H16N2O5 |
|---|---|
| Molecular Weight | 280.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 280.10593 |
| Heavy Atoms | 20 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 103218-22-0 |
|---|---|
| SMILES | CC(=O)NC(C(=O)OC)(C(=O)OC)NC1=CC=CC=C1 |
| InChIKey | HZVZOVOZDJMGFD-UHFFFAOYSA-N |
Product Overview
Dimethyl (acetylamino)(phenylamino)propanedioate (CAS 103218-22-0), with molecular formula C13H16N2O5 and molecular weight 280.11 g/mol. IUPAC: dimethyl 2-acetamido-2-anilinopropanedioate.
Chemical Property Profile of Dimethyl (acetylamino)(phenylamino)propanedioate
Property Insights of Dimethyl (acetylamino)(phenylamino)propanedioate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl (acetylamino)(phenylamino)propanedioate. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl (acetylamino)(phenylamino)propanedioate. Following Lipinski's Rule of Five, Dimethyl (acetylamino)(phenylamino)propanedioate has 2 hydrogen bond donor(s) and 6 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 Dimethyl (acetylamino)(phenylamino)propanedioate?
The CAS number of Dimethyl (acetylamino)(phenylamino)propanedioate is 103218-22-0.
What is the molecular formula of Dimethyl (acetylamino)(phenylamino)propanedioate?
The molecular formula of Dimethyl (acetylamino)(phenylamino)propanedioate is C13H16N2O5.
What is the molecular weight of Dimethyl (acetylamino)(phenylamino)propanedioate?
The molecular weight of Dimethyl (acetylamino)(phenylamino)propanedioate is 280.11 g/mol.
Where can I buy Dimethyl (acetylamino)(phenylamino)propanedioate?
You can request a quote for Dimethyl (acetylamino)(phenylamino)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl (acetylamino)(phenylamino)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl (acetylamino)(phenylamino)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.