Cgs 21680
TL;DR: Cgs 21680 (CAS 124431-80-7) is a chemical compound with molecular formula C23H29N7O6 and molecular weight 499.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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 21680, CGS-21680 hydrochloride, Cgs 21680A, Cgs-21680C, CGS 21680 HCl
| Molecular Formula | C23H29N7O6 |
|---|---|
| Molecular Weight | 499.22 g/mol |
| LogP | -0.1644 |
| Topological Polar Surface Area | 197.74 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 499.21793 |
| Heavy Atoms | 36 |
| Complexity | 1231.6655 |
Chemical Identifiers
| CAS Number | 124431-80-7 |
|---|---|
| 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 |
Product Overview
Cgs 21680 (CAS 124431-80-7), with molecular formula C23H29N7O6 and molecular weight 499.22 g/mol. IUPAC: 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 21680
Property Insights of Cgs 21680
The XLogP value of -0.1644 indicates that Cgs 21680 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 21680 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cgs 21680 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 21680?
The CAS number of Cgs 21680 is 124431-80-7.
What is the molecular formula of Cgs 21680?
The molecular formula of Cgs 21680 is C23H29N7O6.
What is the molecular weight of Cgs 21680?
The molecular weight of Cgs 21680 is 499.22 g/mol.
Where can I buy Cgs 21680?
You can request a quote for Cgs 21680 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cgs 21680?
Yes, KEHONG BIO provides custom synthesis services for Cgs 21680 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.