Diethyl (3-methylanilino)propanedioate
TL;DR: Diethyl (3-methylanilino)propanedioate (CAS 17033-61-3) is a chemical compound with molecular formula C14H19NO4 and molecular weight 265.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(3-methylanilino)propanedioate
Also Known As: NCIOpen2_002489, Diethyl (3-methylanilino)propanedioate, diethyl 2-(3-methylanilino)propanedioate, diethyl 2-(3-tolylamino)malonate, m-Toluidino-malonsaeure-diaethylester
| Molecular Formula | C14H19NO4 |
|---|---|
| Molecular Weight | 265.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 265.1314 |
| Heavy Atoms | 19 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 17033-61-3 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)NC1=CC=CC(=C1)C |
| InChIKey | UEFYOXRABYKYLD-UHFFFAOYSA-N |
Product Overview
Diethyl (3-methylanilino)propanedioate (CAS 17033-61-3), with molecular formula C14H19NO4 and molecular weight 265.13 g/mol. IUPAC: diethyl 2-(3-methylanilino)propanedioate.
Chemical Property Profile of Diethyl (3-methylanilino)propanedioate
Property Insights of Diethyl (3-methylanilino)propanedioate
The XLogP value of 3.0 indicates that Diethyl (3-methylanilino)propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (3-methylanilino)propanedioate. Following Lipinski's Rule of Five, Diethyl (3-methylanilino)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 (3-methylanilino)propanedioate?
The CAS number of Diethyl (3-methylanilino)propanedioate is 17033-61-3.
What is the molecular formula of Diethyl (3-methylanilino)propanedioate?
The molecular formula of Diethyl (3-methylanilino)propanedioate is C14H19NO4.
What is the molecular weight of Diethyl (3-methylanilino)propanedioate?
The molecular weight of Diethyl (3-methylanilino)propanedioate is 265.13 g/mol.
Where can I buy Diethyl (3-methylanilino)propanedioate?
You can request a quote for Diethyl (3-methylanilino)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (3-methylanilino)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (3-methylanilino)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.