6-Chloro-9-(prop-2-ynoxymethyl)purine
TL;DR: 6-Chloro-9-(prop-2-ynoxymethyl)purine (CAS 139758-62-6) is a chemical compound with molecular formula C9H7ClN4O and molecular weight 222.03084 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-chloro-9-(prop-2-ynoxymethyl)purine
Also Known As: 6-Chloro-9-(proparglyoxymethyl)purine, 6-chloro-9-(prop-2-ynoxymethyl)purine, NCI60_010993, 6-Chloro-9-((2-propynyloxy)methyl)-9H-purine, (6-Chloro-9H-purin-9-yl)methyl 2-propynyl ether
Technical Specifications
| Molecular Formula | C9H7ClN4O |
| Molecular Weight | 222.03084 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 52.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.03084 Da |
| Heavy Atoms | 15 |
| Complexity | 266.0 |
| SMILES | C#CCOCN1C=NC2=C1N=CN=C2Cl |
| InChIKey | LBZYMHZPMIJSQW-UHFFFAOYSA-N |
Chemical Property Profile of 6-Chloro-9-(prop-2-ynoxymethyl)purine
Property Insights of 6-Chloro-9-(prop-2-ynoxymethyl)purine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-9-(prop-2-ynoxymethyl)purine. With a topological polar surface area (TPSA) of 52.8 Ų, 6-Chloro-9-(prop-2-ynoxymethyl)purine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-9-(prop-2-ynoxymethyl)purine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-Chloro-9-(prop-2-ynoxymethyl)purine?
The CAS number of 6-Chloro-9-(prop-2-ynoxymethyl)purine is 139758-62-6.
What is the molecular formula of 6-Chloro-9-(prop-2-ynoxymethyl)purine?
The molecular formula of 6-Chloro-9-(prop-2-ynoxymethyl)purine is C9H7ClN4O.
What is the molecular weight of 6-Chloro-9-(prop-2-ynoxymethyl)purine?
The molecular weight of 6-Chloro-9-(prop-2-ynoxymethyl)purine is 222.03084 g/mol.
Where can I buy 6-Chloro-9-(prop-2-ynoxymethyl)purine?
You can request a quote for 6-Chloro-9-(prop-2-ynoxymethyl)purine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Chloro-9-(prop-2-ynoxymethyl)purine?
Yes, CoreyChem provides custom synthesis services for 6-Chloro-9-(prop-2-ynoxymethyl)purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.