Alanine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL-
TL;DR: Alanine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL- (CAS 57469-51-9) is a chemical compound with molecular formula C14H14I3N3O5 and molecular weight 684.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]propanoic acid
Also Known As: DL-N-(3-Acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)alanine, ALANINE, N-(3-ACETAMIDO-5-METHYLCARBAMOYL-2,4,6-TRIIODOBENZOYL)-, DL-, 2-[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]propanoic acid, DL-Alanine, N-[3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoyl]-, N-(Hydroxy{3-[(1-hydroxyethylidene)amino]-5-[hydroxy(methylimino)methyl]-2,4,6-triiodophenyl}methylidene)alanine
| Molecular Formula | C14H14I3N3O5 |
|---|---|
| Molecular Weight | 684.81 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 684.8068 |
| Heavy Atoms | 25 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 57469-51-9 |
|---|---|
| SMILES | CC(C(=O)O)NC(=O)C1=C(C(=C(C(=C1I)C(=O)NC)I)NC(=O)C)I |
| InChIKey | HSGXTFDCAGKVDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Alanine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL- (CAS 57469-51-9), with molecular formula C14H14I3N3O5 and molecular weight 684.81 g/mol. IUPAC: 2-[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]propanoic acid.
Chemical Property Profile of Alanine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL-
Property Insights of Alanine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alanine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL-. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Alanine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL-. Following Lipinski's Rule of Five, Alanine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL- has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Alanine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL-?
The CAS number of Alanine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL- is 57469-51-9.
What is the molecular formula of Alanine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL-?
The molecular formula of Alanine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL- is C14H14I3N3O5.
What is the molecular weight of Alanine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL-?
The molecular weight of Alanine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL- is 684.81 g/mol.
Where can I buy Alanine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL-?
You can request a quote for Alanine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alanine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL-?
Yes, KEHONG BIO provides custom synthesis services for Alanine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.