CTK4C8960
TL;DR: CTK4C8960 (CAS 156126-83-9) is a chemical compound with molecular formula C25H22IN5O4 and molecular weight 583.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,3R)-3-(2-amino-6-iodopurin-9-yl)-2-(benzoyloxymethyl)cyclobutyl]methyl benzoate
Also Known As: (1R,2R,3S)-9-[2,3-BIS(BENZOYLOXYMETHYL)CYCLOBUTYL]-6-IODO-9H-PURIN-2-YLAMINE, [(1R,2R,4R)-2-(2-amino-6-iodo-purin-9-yl)-4-(benzoyloxymethyl)cyclobutyl]methyl Benzoate, [(1S,2R,3R)-3-(2-amino-6-iodopurin-9-yl)-2-(benzoyloxymethyl)cyclobutyl]methyl benzoate, (1S-(1, A,2
| Molecular Formula | C25H22IN5O4 |
|---|---|
| Molecular Weight | 583.07 g/mol |
| LogP | 3.9043 |
| Topological Polar Surface Area | 122.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 583.07166 |
| Heavy Atoms | 35 |
| Complexity | 1362.5621 |
Chemical Identifiers
| CAS Number | 156126-83-9 |
|---|---|
| SMILES | C1[C@@H]([C@H]([C@@H]1N2C=NC3=C2N=C(N=C3I)N)COC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5 |
Product Overview
CTK4C8960 (CAS 156126-83-9), with molecular formula C25H22IN5O4 and molecular weight 583.07 g/mol. IUPAC: [(1S,2R,3R)-3-(2-amino-6-iodopurin-9-yl)-2-(benzoyloxymethyl)cyclobutyl]methyl benzoate.
Chemical Property Profile of CTK4C8960
Property Insights of CTK4C8960
The XLogP value of 3.9043 indicates that CTK4C8960 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.22 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK4C8960. Following Lipinski's Rule of Five, CTK4C8960 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK4C8960?
The CAS number of CTK4C8960 is 156126-83-9.
What is the molecular formula of CTK4C8960?
The molecular formula of CTK4C8960 is C25H22IN5O4.
What is the molecular weight of CTK4C8960?
The molecular weight of CTK4C8960 is 583.07 g/mol.
Where can I buy CTK4C8960?
You can request a quote for CTK4C8960 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4C8960?
Yes, KEHONG BIO provides custom synthesis services for CTK4C8960 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.