beta-alanine, n-(3-amino-2,4,6-triiodobenzoyl)-n-phenyl-, calcium salt
TL;DR: beta-alanine, n-(3-amino-2,4,6-triiodobenzoyl)-n-phenyl-, calcium salt (CAS 77966-96-2) is a chemical compound with molecular formula C32H24CaI6N4O6 and molecular weight 1361.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(3-(N-(3-amino-2,4,6-triiodobenzoyl)anilino)propanoate)
Also Known As: Calcium iobenzamate, ST 5066/Ca [German], ST 5066/Ca, beta-ALANINE, N-(3-AMINO-2,4,6-TRIIODOBENZOYL)-N-PHENYL-, CALCIUM SALT, N-(3-Amino-2,4,6-triiodobenzoyl)-N-phenyl-beta-alanine calcium salt
| Molecular Formula | C32H24CaI6N4O6 |
|---|---|
| Molecular Weight | 1361.56 g/mol |
| LogP | 5.36 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 1361.559 |
| Heavy Atoms | 49 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 77966-96-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(CCC(=O)[O-])C(=O)C2=C(C(=C(C=C2I)I)N)I.C1=CC=C(C=C1)N(CCC(=O)[O-])C(=O)C2=C(C(=C(C=C2I)I)N)I.[Ca+2] |
| InChIKey | OHWYOBDGJKRAOI-UHFFFAOYSA-L |
Product Overview
beta-alanine, n-(3-amino-2,4,6-triiodobenzoyl)-n-phenyl-, calcium salt (CAS 77966-96-2), with molecular formula C32H24CaI6N4O6 and molecular weight 1361.56 g/mol. IUPAC: calcium bis(3-(N-(3-amino-2,4,6-triiodobenzoyl)anilino)propanoate).
Chemical Property Profile of beta-alanine, n-(3-amino-2,4,6-triiodobenzoyl)-n-phenyl-, calcium salt
Property Insights of beta-alanine, n-(3-amino-2,4,6-triiodobenzoyl)-n-phenyl-, calcium salt
The XLogP value of 5.36 indicates that beta-alanine, n-(3-amino-2,4,6-triiodobenzoyl)-n-phenyl-, calcium salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 173.0 Ų indicates high polarity, suggesting beta-alanine, n-(3-amino-2,4,6-triiodobenzoyl)-n-phenyl-, calcium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-alanine, n-(3-amino-2,4,6-triiodobenzoyl)-n-phenyl-, calcium salt has 2 hydrogen bond donor(s) and 8 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-amino-2,4,6-triiodobenzoyl)-n-phenyl-, calcium salt?
The CAS number of beta-alanine, n-(3-amino-2,4,6-triiodobenzoyl)-n-phenyl-, calcium salt is 77966-96-2.
What is the molecular formula of beta-alanine, n-(3-amino-2,4,6-triiodobenzoyl)-n-phenyl-, calcium salt?
The molecular formula of beta-alanine, n-(3-amino-2,4,6-triiodobenzoyl)-n-phenyl-, calcium salt is C32H24CaI6N4O6.
What is the molecular weight of beta-alanine, n-(3-amino-2,4,6-triiodobenzoyl)-n-phenyl-, calcium salt?
The molecular weight of beta-alanine, n-(3-amino-2,4,6-triiodobenzoyl)-n-phenyl-, calcium salt is 1361.56 g/mol.
Where can I buy beta-alanine, n-(3-amino-2,4,6-triiodobenzoyl)-n-phenyl-, calcium salt?
You can request a quote for beta-alanine, n-(3-amino-2,4,6-triiodobenzoyl)-n-phenyl-, calcium salt 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-amino-2,4,6-triiodobenzoyl)-n-phenyl-, calcium salt?
Yes, KEHONG BIO provides custom synthesis services for beta-alanine, n-(3-amino-2,4,6-triiodobenzoyl)-n-phenyl-, calcium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.