tert-Butyl 4-(9H-purin-6-yl)piperazine-1-carboxylate
TL;DR: tert-Butyl 4-(9H-purin-6-yl)piperazine-1-carboxylate (CAS 121370-56-7) is a chemical compound with molecular formula C14H20N6O2 and molecular weight 304.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-(7H-purin-6-yl)piperazine-1-carboxylate
Also Known As: tert-Butyl 4-(9H-purin-6-yl)piperazine-1-carboxylate, ChemDiv3_016021, tert-butyl 4-(7H-purin-6-yl)piperazine-1-carboxylate, 3813AA, Tert-Butyl 4-purin-6-ylpiperazinecarboxylate
| Molecular Formula | C14H20N6O2 |
|---|---|
| Molecular Weight | 304.16 g/mol |
| LogP | 1.41 |
| Topological Polar Surface Area | 87.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 304.16476 |
| Heavy Atoms | 22 |
| Complexity | 669.26807 |
Chemical Identifiers
| CAS Number | 121370-56-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=NC3=C2NC=N3 |
Product Overview
tert-Butyl 4-(9H-purin-6-yl)piperazine-1-carboxylate (CAS 121370-56-7), with molecular formula C14H20N6O2 and molecular weight 304.16 g/mol. IUPAC: tert-butyl 4-(7H-purin-6-yl)piperazine-1-carboxylate.
Chemical Property Profile of tert-Butyl 4-(9H-purin-6-yl)piperazine-1-carboxylate
Property Insights of tert-Butyl 4-(9H-purin-6-yl)piperazine-1-carboxylate
The XLogP value of 1.41 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 4-(9H-purin-6-yl)piperazine-1-carboxylate. The TPSA of 87.24 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-Butyl 4-(9H-purin-6-yl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, tert-Butyl 4-(9H-purin-6-yl)piperazine-1-carboxylate has 1 hydrogen bond donor(s) and 6 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 tert-Butyl 4-(9H-purin-6-yl)piperazine-1-carboxylate?
The CAS number of tert-Butyl 4-(9H-purin-6-yl)piperazine-1-carboxylate is 121370-56-7.
What is the molecular formula of tert-Butyl 4-(9H-purin-6-yl)piperazine-1-carboxylate?
The molecular formula of tert-Butyl 4-(9H-purin-6-yl)piperazine-1-carboxylate is C14H20N6O2.
What is the molecular weight of tert-Butyl 4-(9H-purin-6-yl)piperazine-1-carboxylate?
The molecular weight of tert-Butyl 4-(9H-purin-6-yl)piperazine-1-carboxylate is 304.16 g/mol.
Where can I buy tert-Butyl 4-(9H-purin-6-yl)piperazine-1-carboxylate?
You can request a quote for tert-Butyl 4-(9H-purin-6-yl)piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl 4-(9H-purin-6-yl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 4-(9H-purin-6-yl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.