trans-9-(3-(Hydroxymethyl)cyclobutyl)adenine
TL;DR: trans-9-(3-(Hydroxymethyl)cyclobutyl)adenine (CAS 132332-58-2) is a chemical compound with molecular formula C10H13N5O and molecular weight 219.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(6-aminopurin-9-yl)cyclobutyl]methanol
Also Known As: cis-9-(3-CH2OH-cBu)A, trans-9-(3-CH2OH-cBu)A, trans-9-(3-(Hydroxymethyl)cyclobutyl)adenine, [3-(6-aminopurin-9-yl)cyclobutyl]methanol, cis-9-(3-(Hydroxymethyl)cyclobutyl)adenine
| Molecular Formula | C10H13N5O |
|---|---|
| Molecular Weight | 219.11 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.11201 |
| Heavy Atoms | 16 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 132332-58-2 |
|---|---|
| SMILES | C1C(CC1N2C=NC3=C(N=CN=C32)N)CO |
| InChIKey | IFSFFLAFQQYWAX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
trans-9-(3-(Hydroxymethyl)cyclobutyl)adenine (CAS 132332-58-2), with molecular formula C10H13N5O and molecular weight 219.11 g/mol. IUPAC: [3-(6-aminopurin-9-yl)cyclobutyl]methanol.
Chemical Property Profile of trans-9-(3-(Hydroxymethyl)cyclobutyl)adenine
Property Insights of trans-9-(3-(Hydroxymethyl)cyclobutyl)adenine
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-9-(3-(Hydroxymethyl)cyclobutyl)adenine. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for trans-9-(3-(Hydroxymethyl)cyclobutyl)adenine. Following Lipinski's Rule of Five, trans-9-(3-(Hydroxymethyl)cyclobutyl)adenine has 2 hydrogen bond donor(s) and 5 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 trans-9-(3-(Hydroxymethyl)cyclobutyl)adenine?
The CAS number of trans-9-(3-(Hydroxymethyl)cyclobutyl)adenine is 132332-58-2.
What is the molecular formula of trans-9-(3-(Hydroxymethyl)cyclobutyl)adenine?
The molecular formula of trans-9-(3-(Hydroxymethyl)cyclobutyl)adenine is C10H13N5O.
What is the molecular weight of trans-9-(3-(Hydroxymethyl)cyclobutyl)adenine?
The molecular weight of trans-9-(3-(Hydroxymethyl)cyclobutyl)adenine is 219.11 g/mol.
Where can I buy trans-9-(3-(Hydroxymethyl)cyclobutyl)adenine?
You can request a quote for trans-9-(3-(Hydroxymethyl)cyclobutyl)adenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-9-(3-(Hydroxymethyl)cyclobutyl)adenine?
Yes, KEHONG BIO provides custom synthesis services for trans-9-(3-(Hydroxymethyl)cyclobutyl)adenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.