1,1-Cyclobutanedimethanol, 3-(6-amino-9H-purin-9-yl)-
TL;DR: 1,1-Cyclobutanedimethanol, 3-(6-amino-9H-purin-9-yl)- (CAS 131853-47-9) is a chemical compound with molecular formula C11H15N5O2 and molecular weight 249.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(6-aminopurin-9-yl)-1-(hydroxymethyl)cyclobutyl]methanol
Also Known As: (9-bis-(3,3-CH2OH)-cBu)A, 9-(3,3-bis(Hydroxymethyl)cyclobutyl)adenine, 1,1-Cyclobutanedimethanol, 3-(6-amino-9H-purin-9-yl)-, [9-bis-(3,3-CH2OH)-cBu]A, 9-[3,3-bis(Hydroxymethyl)cyclobutyl]adenine
| Molecular Formula | C11H15N5O2 |
|---|---|
| Molecular Weight | 249.12 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.12257 |
| Heavy Atoms | 18 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 131853-47-9 |
|---|---|
| SMILES | C1C(CC1(CO)CO)N2C=NC3=C(N=CN=C32)N |
| InChIKey | PQABLYQJFFLKFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Cyclobutanedimethanol, 3-(6-amino-9H-purin-9-yl)- (CAS 131853-47-9), with molecular formula C11H15N5O2 and molecular weight 249.12 g/mol. IUPAC: [3-(6-aminopurin-9-yl)-1-(hydroxymethyl)cyclobutyl]methanol.
Chemical Property Profile of 1,1-Cyclobutanedimethanol, 3-(6-amino-9H-purin-9-yl)-
Property Insights of 1,1-Cyclobutanedimethanol, 3-(6-amino-9H-purin-9-yl)-
The XLogP value of -0.8 indicates that 1,1-Cyclobutanedimethanol, 3-(6-amino-9H-purin-9-yl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Cyclobutanedimethanol, 3-(6-amino-9H-purin-9-yl)-. Following Lipinski's Rule of Five, 1,1-Cyclobutanedimethanol, 3-(6-amino-9H-purin-9-yl)- has 3 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 1,1-Cyclobutanedimethanol, 3-(6-amino-9H-purin-9-yl)-?
The CAS number of 1,1-Cyclobutanedimethanol, 3-(6-amino-9H-purin-9-yl)- is 131853-47-9.
What is the molecular formula of 1,1-Cyclobutanedimethanol, 3-(6-amino-9H-purin-9-yl)-?
The molecular formula of 1,1-Cyclobutanedimethanol, 3-(6-amino-9H-purin-9-yl)- is C11H15N5O2.
What is the molecular weight of 1,1-Cyclobutanedimethanol, 3-(6-amino-9H-purin-9-yl)-?
The molecular weight of 1,1-Cyclobutanedimethanol, 3-(6-amino-9H-purin-9-yl)- is 249.12 g/mol.
Where can I buy 1,1-Cyclobutanedimethanol, 3-(6-amino-9H-purin-9-yl)-?
You can request a quote for 1,1-Cyclobutanedimethanol, 3-(6-amino-9H-purin-9-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Cyclobutanedimethanol, 3-(6-amino-9H-purin-9-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Cyclobutanedimethanol, 3-(6-amino-9H-purin-9-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.