n-(4-Aminobutyl)-9-pentofuranosyl-9h-purin-6-amine
TL;DR: n-(4-Aminobutyl)-9-pentofuranosyl-9h-purin-6-amine (CAS 6116-49-0) is a chemical compound with molecular formula C14H22N6O4 and molecular weight 338.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-(4-aminobutylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: n-(4-aminobutyl)-9-pentofuranosyl-9h-purin-6-amine, 2-[6-(4-aminobutylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
| Molecular Formula | C14H22N6O4 |
|---|---|
| Molecular Weight | 338.17 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 338.17026 |
| Heavy Atoms | 24 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 6116-49-0 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)NCCCCN |
| InChIKey | JZYJGLYAZHFZKM-UHFFFAOYSA-N |
Product Overview
n-(4-Aminobutyl)-9-pentofuranosyl-9h-purin-6-amine (CAS 6116-49-0), with molecular formula C14H22N6O4 and molecular weight 338.17 g/mol. IUPAC: 2-[6-(4-aminobutylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of n-(4-Aminobutyl)-9-pentofuranosyl-9h-purin-6-amine
Property Insights of n-(4-Aminobutyl)-9-pentofuranosyl-9h-purin-6-amine
The XLogP value of -0.6 indicates that n-(4-Aminobutyl)-9-pentofuranosyl-9h-purin-6-amine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 152.0 Ų indicates high polarity, suggesting n-(4-Aminobutyl)-9-pentofuranosyl-9h-purin-6-amine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, n-(4-Aminobutyl)-9-pentofuranosyl-9h-purin-6-amine has 5 hydrogen bond donor(s) and 9 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 n-(4-Aminobutyl)-9-pentofuranosyl-9h-purin-6-amine?
The CAS number of n-(4-Aminobutyl)-9-pentofuranosyl-9h-purin-6-amine is 6116-49-0.
What is the molecular formula of n-(4-Aminobutyl)-9-pentofuranosyl-9h-purin-6-amine?
The molecular formula of n-(4-Aminobutyl)-9-pentofuranosyl-9h-purin-6-amine is C14H22N6O4.
What is the molecular weight of n-(4-Aminobutyl)-9-pentofuranosyl-9h-purin-6-amine?
The molecular weight of n-(4-Aminobutyl)-9-pentofuranosyl-9h-purin-6-amine is 338.17 g/mol.
Where can I buy n-(4-Aminobutyl)-9-pentofuranosyl-9h-purin-6-amine?
You can request a quote for n-(4-Aminobutyl)-9-pentofuranosyl-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 n-(4-Aminobutyl)-9-pentofuranosyl-9h-purin-6-amine?
Yes, KEHONG BIO provides custom synthesis services for n-(4-Aminobutyl)-9-pentofuranosyl-9h-purin-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.