2-Chloro-N-(3-methyl-2-butenyl)-9H-purin-6-amine
TL;DR: 2-Chloro-N-(3-methyl-2-butenyl)-9H-purin-6-amine (CAS 29911-54-4) is a chemical compound with molecular formula C10H12ClN5 and molecular weight 237.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(3-methylbut-2-enyl)-7H-purin-6-amine
Also Known As: NCI60_025652, 1H-Purin-2-chloro-6-amine, N-(3-methyl-2-butenyl)-, 2-chloro-N-(3-methylbut-2-enyl)-7H-purin-6-amine, 2-chloro-N-(3-methylbut-2-enyl)-9H-purin-6-amine, 2-Chloro-N-(3-methyl-2-butenyl)-9H-purin-6-amine
| Molecular Formula | C10H12ClN5 |
|---|---|
| Molecular Weight | 237.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.07812 |
| Heavy Atoms | 16 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 29911-54-4 |
|---|---|
| SMILES | CC(=CCNC1=NC(=NC2=C1NC=N2)Cl)C |
| InChIKey | NZWPXCCNOTZIPE-UHFFFAOYSA-N |
Product Overview
2-Chloro-N-(3-methyl-2-butenyl)-9H-purin-6-amine (CAS 29911-54-4), with molecular formula C10H12ClN5 and molecular weight 237.08 g/mol. IUPAC: 2-chloro-N-(3-methylbut-2-enyl)-7H-purin-6-amine.
Chemical Property Profile of 2-Chloro-N-(3-methyl-2-butenyl)-9H-purin-6-amine
Property Insights of 2-Chloro-N-(3-methyl-2-butenyl)-9H-purin-6-amine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-N-(3-methyl-2-butenyl)-9H-purin-6-amine. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-N-(3-methyl-2-butenyl)-9H-purin-6-amine. Following Lipinski's Rule of Five, 2-Chloro-N-(3-methyl-2-butenyl)-9H-purin-6-amine has 2 hydrogen bond donor(s) and 4 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-N-(3-methyl-2-butenyl)-9H-purin-6-amine?
The CAS number of 2-Chloro-N-(3-methyl-2-butenyl)-9H-purin-6-amine is 29911-54-4.
What is the molecular formula of 2-Chloro-N-(3-methyl-2-butenyl)-9H-purin-6-amine?
The molecular formula of 2-Chloro-N-(3-methyl-2-butenyl)-9H-purin-6-amine is C10H12ClN5.
What is the molecular weight of 2-Chloro-N-(3-methyl-2-butenyl)-9H-purin-6-amine?
The molecular weight of 2-Chloro-N-(3-methyl-2-butenyl)-9H-purin-6-amine is 237.08 g/mol.
Where can I buy 2-Chloro-N-(3-methyl-2-butenyl)-9H-purin-6-amine?
You can request a quote for 2-Chloro-N-(3-methyl-2-butenyl)-9H-purin-6-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-N-(3-methyl-2-butenyl)-9H-purin-6-amine?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-N-(3-methyl-2-butenyl)-9H-purin-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.