Threonine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL-
TL;DR: Threonine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL- (CAS 49755-90-0) is a chemical compound with molecular formula C15H16I3N3O6 and molecular weight 714.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R)-2-[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]-3-hydroxybutanoic acid
Also Known As: Threonine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL-, DL-N-(3-Acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)threonine, DL-Threonine, N-(3-(acetylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)benzoyl)-, N-[3-Acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]-L-threonine, DL-Threonine, N-[3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoyl]-
| Molecular Formula | C15H16I3N3O6 |
|---|---|
| Molecular Weight | 714.82 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 714.8173 |
| Heavy Atoms | 27 |
| Complexity | 607.0 |
Chemical Identifiers
| CAS Number | 49755-90-0 |
|---|---|
| SMILES | C[C@H]([C@@H](C(=O)O)NC(=O)C1=C(C(=C(C(=C1I)C(=O)NC)I)NC(=O)C)I)O |
| InChIKey | UAZUWTWCXVURJK-IBDLBZOISA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Threonine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL- (CAS 49755-90-0), with molecular formula C15H16I3N3O6 and molecular weight 714.82 g/mol. IUPAC: (2S,3R)-2-[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]-3-hydroxybutanoic acid.
Chemical Property Profile of Threonine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL-
Property Insights of Threonine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Threonine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL-. The TPSA of 145.0 Ų indicates high polarity, suggesting Threonine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Threonine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL- has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Threonine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL-?
The CAS number of Threonine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL- is 49755-90-0.
What is the molecular formula of Threonine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL-?
The molecular formula of Threonine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL- is C15H16I3N3O6.
What is the molecular weight of Threonine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL-?
The molecular weight of Threonine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL- is 714.82 g/mol.
Where can I buy Threonine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL-?
You can request a quote for Threonine, 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 Threonine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL-?
Yes, KEHONG BIO provides custom synthesis services for Threonine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.