beta-Alanine, N-(3-carbamoyl-5-methoxyacetamido-2,4,6-triiodobenzoyl)-
TL;DR: beta-Alanine, N-(3-carbamoyl-5-methoxyacetamido-2,4,6-triiodobenzoyl)- (CAS 57469-53-1) is a chemical compound with molecular formula C14H14I3N3O6 and molecular weight 700.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-carbamoyl-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]benzoyl]amino]propanoic acid
Also Known As: N-allylglycine amide, beta-ALANINE, N-(3-CARBAMOYL-5-METHOXYACETAMIDO-2,4,6-TRIIODOBENZOYL)-, N-(3-Carbamoyl-5-methoxyacetamido-2,4,6-triiodobenzoyl)-beta-alanine, 3-[[3-carbamoyl-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]benzoyl]amino]propanoic acid, N-[3-Carbamoyl-2,4,6-triiodo-5-(2-methoxyacetamido)benzoyl]-beta-alanine
| Molecular Formula | C14H14I3N3O6 |
|---|---|
| Molecular Weight | 700.80 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 700.8017 |
| Heavy Atoms | 26 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 57469-53-1 |
|---|---|
| SMILES | COCC(=O)NC1=C(C(=C(C(=C1I)C(=O)NCCC(=O)O)I)C(=O)N)I |
| InChIKey | FJAOSUKULWWOPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Alanine, N-(3-carbamoyl-5-methoxyacetamido-2,4,6-triiodobenzoyl)- (CAS 57469-53-1), with molecular formula C14H14I3N3O6 and molecular weight 700.80 g/mol. IUPAC: 3-[[3-carbamoyl-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]benzoyl]amino]propanoic acid.
Chemical Property Profile of beta-Alanine, N-(3-carbamoyl-5-methoxyacetamido-2,4,6-triiodobenzoyl)-
Property Insights of beta-Alanine, N-(3-carbamoyl-5-methoxyacetamido-2,4,6-triiodobenzoyl)-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Alanine, N-(3-carbamoyl-5-methoxyacetamido-2,4,6-triiodobenzoyl)-. The TPSA of 148.0 Ų indicates high polarity, suggesting beta-Alanine, N-(3-carbamoyl-5-methoxyacetamido-2,4,6-triiodobenzoyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-Alanine, N-(3-carbamoyl-5-methoxyacetamido-2,4,6-triiodobenzoyl)- has 4 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 beta-Alanine, N-(3-carbamoyl-5-methoxyacetamido-2,4,6-triiodobenzoyl)-?
The CAS number of beta-Alanine, N-(3-carbamoyl-5-methoxyacetamido-2,4,6-triiodobenzoyl)- is 57469-53-1.
What is the molecular formula of beta-Alanine, N-(3-carbamoyl-5-methoxyacetamido-2,4,6-triiodobenzoyl)-?
The molecular formula of beta-Alanine, N-(3-carbamoyl-5-methoxyacetamido-2,4,6-triiodobenzoyl)- is C14H14I3N3O6.
What is the molecular weight of beta-Alanine, N-(3-carbamoyl-5-methoxyacetamido-2,4,6-triiodobenzoyl)-?
The molecular weight of beta-Alanine, N-(3-carbamoyl-5-methoxyacetamido-2,4,6-triiodobenzoyl)- is 700.80 g/mol.
Where can I buy beta-Alanine, N-(3-carbamoyl-5-methoxyacetamido-2,4,6-triiodobenzoyl)-?
You can request a quote for beta-Alanine, N-(3-carbamoyl-5-methoxyacetamido-2,4,6-triiodobenzoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Alanine, N-(3-carbamoyl-5-methoxyacetamido-2,4,6-triiodobenzoyl)-?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-(3-carbamoyl-5-methoxyacetamido-2,4,6-triiodobenzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.