CGS 21680C
TL;DR: CGS 21680C (CAS 120225-64-1) is a chemical compound with molecular formula C23H29N7NaO6+ and molecular weight 522.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 3-[4-[2-[[6-amino-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid
Also Known As: CGS 21680C, CGS 21680C Sodium Salt, sodium;3-[4-[2-[[6-amino-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid, Benzenepropanoic acid, 4-(2-((6-amino-9-(N-ethyl-beta-D-ribofuranuronamidosyl)-9H-purin-2-yl)amino)ethyl)-, monosodium salt, sodium 3-[4-[2-[[6-amino-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid
| Molecular Formula | C23H29N7NaO6+ |
|---|---|
| Molecular Weight | 522.21 g/mol |
| LogP | -3.1604 |
| Topological Polar Surface Area | 197.74 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 522.2077 |
| Heavy Atoms | 37 |
| Complexity | 1238.298 |
Chemical Identifiers
| CAS Number | 120225-64-1 |
|---|---|
| SMILES | CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)NCCC4=CC=C(C=C4)CCC(=O)O)N)O)O.[Na+] |
Product Overview
CGS 21680C (CAS 120225-64-1), with molecular formula C23H29N7NaO6+ and molecular weight 522.21 g/mol. IUPAC: sodium 3-[4-[2-[[6-amino-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid.
Chemical Property Profile of CGS 21680C
Property Insights of CGS 21680C
The XLogP value of -3.1604 indicates that CGS 21680C is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 197.74 Ų indicates high polarity, suggesting CGS 21680C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CGS 21680C has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CGS 21680C?
The CAS number of CGS 21680C is 120225-64-1.
What is the molecular formula of CGS 21680C?
The molecular formula of CGS 21680C is C23H29N7NaO6+.
What is the molecular weight of CGS 21680C?
The molecular weight of CGS 21680C is 522.21 g/mol.
Where can I buy CGS 21680C?
You can request a quote for CGS 21680C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CGS 21680C?
Yes, KEHONG BIO provides custom synthesis services for CGS 21680C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.