2-Chloro-9-(1-methylethyl)-9H-purine
TL;DR: 2-Chloro-9-(1-methylethyl)-9H-purine (CAS 890093-94-4) is a chemical compound with molecular formula C8H9ClN4 and molecular weight 196.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-9-propan-2-ylpurine
Also Known As: 2-Chloro-9-isopropyl-9H-purine, 2-chloro-9-propan-2-ylpurine, 2-chloro-9-(propan-2-yl)-9H-purine, 2-chloro-9-isopropylpurine, 2-chloro-9-(1-methylethyl)-9h-purine
| Molecular Formula | C8H9ClN4 |
|---|---|
| Molecular Weight | 196.05 g/mol |
| LogP | 2.0606 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.05157 |
| Heavy Atoms | 13 |
| Complexity | 434.6367 |
Chemical Identifiers
| CAS Number | 890093-94-4 |
|---|---|
| SMILES | CC(C)N1C=NC2=CN=C(N=C21)Cl |
Product Overview
2-Chloro-9-(1-methylethyl)-9H-purine (CAS 890093-94-4), with molecular formula C8H9ClN4 and molecular weight 196.05 g/mol. IUPAC: 2-chloro-9-propan-2-ylpurine.
Chemical Property Profile of 2-Chloro-9-(1-methylethyl)-9H-purine
Property Insights of 2-Chloro-9-(1-methylethyl)-9H-purine
The XLogP value of 2.0606 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-9-(1-methylethyl)-9H-purine. With a topological polar surface area (TPSA) of 43.6 Ų, 2-Chloro-9-(1-methylethyl)-9H-purine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-9-(1-methylethyl)-9H-purine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Chloro-9-(1-methylethyl)-9H-purine?
The CAS number of 2-Chloro-9-(1-methylethyl)-9H-purine is 890093-94-4.
What is the molecular formula of 2-Chloro-9-(1-methylethyl)-9H-purine?
The molecular formula of 2-Chloro-9-(1-methylethyl)-9H-purine is C8H9ClN4.
What is the molecular weight of 2-Chloro-9-(1-methylethyl)-9H-purine?
The molecular weight of 2-Chloro-9-(1-methylethyl)-9H-purine is 196.05 g/mol.
Where can I buy 2-Chloro-9-(1-methylethyl)-9H-purine?
You can request a quote for 2-Chloro-9-(1-methylethyl)-9H-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-9-(1-methylethyl)-9H-purine?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-9-(1-methylethyl)-9H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.