6748A
TL;DR: 6748A (CAS 84136-42-5) is a chemical compound with molecular formula C18H33Ca2N4O8+ and molecular weight 513.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dicalcium;carboxymethyl-dimethyl-[3-[(2-oxoacetyl)amino]propyl]azanium;hydride;2-methyl-2-[3-[(2-oxoacetyl)amino]propylamino]propanoic acid
Also Known As: 6748A, dicalcium;carboxymethyl-dimethyl-[3-[(2-oxoacetyl)amino]propyl]azanium;hydride;2-methyl-2-[3-[(2-oxoacetyl)amino]propylamino]propanoic acid
| Molecular Formula | C18H33Ca2N4O8+ |
|---|---|
| Molecular Weight | 513.15 g/mol |
| LogP | -2.718 |
| Topological Polar Surface Area | 178.97 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 513.155 |
| Heavy Atoms | 32 |
| Complexity | 626.7608 |
Chemical Identifiers
| CAS Number | 84136-42-5 |
|---|---|
| SMILES | [H-].[H-].CC(C)(C(=O)O)NCCCNC(=O)[C-]=O.C[N+](C)(CCCNC(=O)[C-]=O)CC(=O)O.[Ca+2].[Ca+2] |
Product Overview
6748A (CAS 84136-42-5), with molecular formula C18H33Ca2N4O8+ and molecular weight 513.15 g/mol. IUPAC: dicalcium;carboxymethyl-dimethyl-[3-[(2-oxoacetyl)amino]propyl]azanium;hydride;2-methyl-2-[3-[(2-oxoacetyl)amino]propylamino]propanoic acid.
Chemical Property Profile of 6748A
Property Insights of 6748A
The XLogP value of -2.718 indicates that 6748A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 178.97 Ų indicates high polarity, suggesting 6748A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6748A has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6748A?
The CAS number of 6748A is 84136-42-5.
What is the molecular formula of 6748A?
The molecular formula of 6748A is C18H33Ca2N4O8+.
What is the molecular weight of 6748A?
The molecular weight of 6748A is 513.15 g/mol.
Where can I buy 6748A?
You can request a quote for 6748A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6748A?
Yes, KEHONG BIO provides custom synthesis services for 6748A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.