Methyl N-(3-amino-2,4,6-triiodobenzoyl)-N-phenyl-beta-alaninate
TL;DR: Methyl N-(3-amino-2,4,6-triiodobenzoyl)-N-phenyl-beta-alaninate (CAS 51934-66-8) is a chemical compound with molecular formula C17H15I3N2O3 and molecular weight 675.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(N-(3-amino-2,4,6-triiodobenzoyl)anilino)propanoate
Also Known As: methyln-n-phenyl-beta-alaninate, methylN- -N-phenyl-beta-alaninate, Methyl N-(3-amino-2,4,6-triiodobenzoyl)-N-phenyl-beta-alaninate, methyl n-(3-amino-2,4,6-triiodobenzoyl)-n-phenyl-, A-alaninate
| Molecular Formula | C17H15I3N2O3 |
|---|---|
| Molecular Weight | 675.82 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 675.8217 |
| Heavy Atoms | 25 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 51934-66-8 |
|---|---|
| SMILES | COC(=O)CCN(C1=CC=CC=C1)C(=O)C2=C(C(=C(C=C2I)I)N)I |
| InChIKey | FXFJGDGAESIFGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl N-(3-amino-2,4,6-triiodobenzoyl)-N-phenyl-beta-alaninate (CAS 51934-66-8), with molecular formula C17H15I3N2O3 and molecular weight 675.82 g/mol. IUPAC: methyl 3-(N-(3-amino-2,4,6-triiodobenzoyl)anilino)propanoate.
Chemical Property Profile of Methyl N-(3-amino-2,4,6-triiodobenzoyl)-N-phenyl-beta-alaninate
Property Insights of Methyl N-(3-amino-2,4,6-triiodobenzoyl)-N-phenyl-beta-alaninate
The XLogP value of 4.0 indicates that Methyl N-(3-amino-2,4,6-triiodobenzoyl)-N-phenyl-beta-alaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl N-(3-amino-2,4,6-triiodobenzoyl)-N-phenyl-beta-alaninate. Following Lipinski's Rule of Five, Methyl N-(3-amino-2,4,6-triiodobenzoyl)-N-phenyl-beta-alaninate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl N-(3-amino-2,4,6-triiodobenzoyl)-N-phenyl-beta-alaninate?
The CAS number of Methyl N-(3-amino-2,4,6-triiodobenzoyl)-N-phenyl-beta-alaninate is 51934-66-8.
What is the molecular formula of Methyl N-(3-amino-2,4,6-triiodobenzoyl)-N-phenyl-beta-alaninate?
The molecular formula of Methyl N-(3-amino-2,4,6-triiodobenzoyl)-N-phenyl-beta-alaninate is C17H15I3N2O3.
What is the molecular weight of Methyl N-(3-amino-2,4,6-triiodobenzoyl)-N-phenyl-beta-alaninate?
The molecular weight of Methyl N-(3-amino-2,4,6-triiodobenzoyl)-N-phenyl-beta-alaninate is 675.82 g/mol.
Where can I buy Methyl N-(3-amino-2,4,6-triiodobenzoyl)-N-phenyl-beta-alaninate?
You can request a quote for Methyl N-(3-amino-2,4,6-triiodobenzoyl)-N-phenyl-beta-alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-(3-amino-2,4,6-triiodobenzoyl)-N-phenyl-beta-alaninate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-(3-amino-2,4,6-triiodobenzoyl)-N-phenyl-beta-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.