3-(3-Iodo-4-azido)phenethyl-1-propyl-8-cyclopentylxanthine
TL;DR: 3-(3-Iodo-4-azido)phenethyl-1-propyl-8-cyclopentylxanthine (CAS 116370-49-1) is a chemical compound with molecular formula C21H24IN7O2 and molecular weight 531.10376 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(4-azido-3-(125I)iodophenyl)ethyl]-8-cyclopentyl-1-propyl-7H-purine-2,6-dione
Also Known As: I-Azido-bwa844U, I-Azido-BW-A844U, I-Azido-BW A 844U, 3-(3-Iodo-4-azido)phenethyl-1-propyl-8-cyclopentylxanthine, 3-(2-(4-Azido-3-(iodo-125I)phenyl)ethyl)-8-cyclopentyl-3,7-dihydro-1-propyl-1H-purine-2,6-dione
Technical Specifications
| Molecular Formula | C21H24IN7O2 |
| Molecular Weight | 531.10376 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 83.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 531.10376 Da |
| Heavy Atoms | 31 |
| Complexity | 725.0 |
| SMILES | CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)CCC4=CC(=C(C=C4)N=[N+]=[N-])[125I] |
| InChIKey | SNXXCTYQLMITSG-ONBQKKEBSA-N |
Chemical Property Profile of 3-(3-Iodo-4-azido)phenethyl-1-propyl-8-cyclopentylxanthine
Property Insights of 3-(3-Iodo-4-azido)phenethyl-1-propyl-8-cyclopentylxanthine
The XLogP value of 5.7 indicates that 3-(3-Iodo-4-azido)phenethyl-1-propyl-8-cyclopentylxanthine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Iodo-4-azido)phenethyl-1-propyl-8-cyclopentylxanthine. Following Lipinski's Rule of Five, 3-(3-Iodo-4-azido)phenethyl-1-propyl-8-cyclopentylxanthine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-(3-Iodo-4-azido)phenethyl-1-propyl-8-cyclopentylxanthine?
The CAS number of 3-(3-Iodo-4-azido)phenethyl-1-propyl-8-cyclopentylxanthine is 116370-49-1.
What is the molecular formula of 3-(3-Iodo-4-azido)phenethyl-1-propyl-8-cyclopentylxanthine?
The molecular formula of 3-(3-Iodo-4-azido)phenethyl-1-propyl-8-cyclopentylxanthine is C21H24IN7O2.
What is the molecular weight of 3-(3-Iodo-4-azido)phenethyl-1-propyl-8-cyclopentylxanthine?
The molecular weight of 3-(3-Iodo-4-azido)phenethyl-1-propyl-8-cyclopentylxanthine is 531.10376 g/mol.
Where can I buy 3-(3-Iodo-4-azido)phenethyl-1-propyl-8-cyclopentylxanthine?
You can request a quote for 3-(3-Iodo-4-azido)phenethyl-1-propyl-8-cyclopentylxanthine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3-Iodo-4-azido)phenethyl-1-propyl-8-cyclopentylxanthine?
Yes, CoreyChem provides custom synthesis services for 3-(3-Iodo-4-azido)phenethyl-1-propyl-8-cyclopentylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.