CGS21680盐酸盐
TL;DR: CGS21680盐酸盐 (CAS 120225-54-9) 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.
CGS21680盐酸盐
3-[4-[2-[[6-amino-9-[5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid
Also Known As: CGS 21680 hydrochloride, Cgs 21680, BRD-A81866333-003-01-5, 3-[4-[2-[[6-amino-9-[5-(ethylcarbamoyl)-3,4-dihydroxy-2-oxolanyl]-2-purinyl]amino]ethyl]phenyl]propanoic acid, 3-[4-[2-[[6-amino-9-[5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid
| Molecular Formula | C23H29N7O6 |
|---|---|
| Molecular Weight | 499.22 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 198.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 499.21793 |
| Heavy Atoms | 36 |
| Complexity | 754.0 |
Chemical Identifiers
| CAS Number | 120225-54-9 |
|---|---|
| SMILES | CCNC(=O)C1C(C(C(O1)N2C=NC3=C(N=C(N=C32)NCCC4=CC=C(C=C4)CCC(=O)O)N)O)O |
| InChIKey | PAOANWZGLPPROA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CGS21680盐酸盐 (CAS 120225-54-9), with molecular formula C23H29N7O6 and molecular weight 499.22 g/mol. IUPAC: 3-[4-[2-[[6-amino-9-[5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid.
Chemical Property Profile of CGS21680盐酸盐
Property Insights of CGS21680盐酸盐
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CGS21680盐酸盐. The TPSA of 198.0 Ų indicates high polarity, suggesting CGS21680盐酸盐 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CGS21680盐酸盐 has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CGS21680盐酸盐?
The CAS number of CGS21680盐酸盐 is 120225-54-9.
What is the molecular formula of CGS21680盐酸盐?
The molecular formula of CGS21680盐酸盐 is C23H29N7O6.
What is the molecular weight of CGS21680盐酸盐?
The molecular weight of CGS21680盐酸盐 is 499.22 g/mol.
Where can I buy CGS21680盐酸盐?
You can request a quote for CGS21680盐酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CGS21680盐酸盐?
Yes, KEHONG BIO provides custom synthesis services for CGS21680盐酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.