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CGS 21680 hydrochloride structure
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CGS 21680 hydrochloride

TL;DR: CGS 21680 hydrochloride (CAS 120225-54-9) is a chemical compound with molecular formula C23H29N7O6 and molecular weight 499.21793 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

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

CAS Number
120225-54-9
Molecular Formula
C23H29N7O6
Molecular Weight
499.21793 g/mol
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Application Areas

Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.

Pharmaceutical Intermediates (2 patents)

Technical Specifications

Molecular FormulaC23H29N7O6
Molecular Weight499.21793 g/mol
XLogP0.5
Topological Polar Surface Area (TPSA)198.0 Ų
Hydrogen Bond Donors6
Hydrogen Bond Acceptors11
Rotatable Bonds10
Exact Mass499.21793 Da
Heavy Atoms36
Complexity754.0
SMILESCCNC(=O)C1C(C(C(O1)N2C=NC3=C(N=C(N=C32)NCCC4=CC=C(C=C4)CCC(=O)O)N)O)O
InChIKeyPAOANWZGLPPROA-UHFFFAOYSA-N

Product Description

Applications: CGS 21680 hydrochloride is used in pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies CGS 21680 hydrochloride (CAS 120225-54-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.

CGS 21680 hydrochloride (CAS 120225-54-9) is a pharmaceutical intermediate with the molecular formula C23H29N7O6 and a molecular weight of 499.22 g/mol. It is also known as CGS 21680 hydrochloride and Cgs 21680.

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of CGS 21680 hydrochloride

XLogP
0.5
TPSA (Topological Polar Surface Area)
198.0
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
11
Rotatable Bonds
10
Heavy Atoms
36
Complexity
754.0
Exact Mass
499.21793
Monoisotopic Mass
499.21793
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of CGS 21680 hydrochloride

The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CGS 21680 hydrochloride. The TPSA of 198.0 Ų indicates high polarity, suggesting CGS 21680 hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CGS 21680 hydrochloride has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of CGS 21680 hydrochloride?

The CAS number of CGS 21680 hydrochloride is 120225-54-9.

What is the molecular formula of CGS 21680 hydrochloride?

The molecular formula of CGS 21680 hydrochloride is C23H29N7O6.

What is the molecular weight of CGS 21680 hydrochloride?

The molecular weight of CGS 21680 hydrochloride is 499.21793 g/mol.

What are the applications of CGS 21680 hydrochloride?

CGS 21680 hydrochloride is used in pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies CGS 21680 hydrochloride (CAS 120225-54-9) with custom synthesis available from milligram to multi-kilogram scale,...

Where can I buy CGS 21680 hydrochloride?

You can request a quote for CGS 21680 hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for CGS 21680 hydrochloride?

Yes, CoreyChem provides custom synthesis services for CGS 21680 hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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