Adenine,6N-P-methoxybenzyl
TL;DR: Adenine,6N-P-methoxybenzyl (CAS 105945-91-3) is a chemical compound with molecular formula C13H13N5O and molecular weight 255.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methoxyphenyl)methyl]-7H-purin-6-amine
Also Known As: N-(4-methoxybenzyl)-9H-purin-6-amine, N-(4-Methoxybenzyl)adenine, ADENINE,6N-P-METHOXYBENZYL, 6-(4-methoxybenzylamino)purine, IFLab1_002407
| Molecular Formula | C13H13N5O |
|---|---|
| Molecular Weight | 255.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.11201 |
| Heavy Atoms | 19 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 105945-91-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3 |
| InChIKey | JNRWSGYVASKILI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Adenine,6N-P-methoxybenzyl (CAS 105945-91-3), with molecular formula C13H13N5O and molecular weight 255.11 g/mol. IUPAC: N-[(4-methoxyphenyl)methyl]-7H-purin-6-amine.
Chemical Property Profile of Adenine,6N-P-methoxybenzyl
Property Insights of Adenine,6N-P-methoxybenzyl
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Adenine,6N-P-methoxybenzyl. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Adenine,6N-P-methoxybenzyl. Following Lipinski's Rule of Five, Adenine,6N-P-methoxybenzyl 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 Adenine,6N-P-methoxybenzyl?
The CAS number of Adenine,6N-P-methoxybenzyl is 105945-91-3.
What is the molecular formula of Adenine,6N-P-methoxybenzyl?
The molecular formula of Adenine,6N-P-methoxybenzyl is C13H13N5O.
What is the molecular weight of Adenine,6N-P-methoxybenzyl?
The molecular weight of Adenine,6N-P-methoxybenzyl is 255.11 g/mol.
Where can I buy Adenine,6N-P-methoxybenzyl?
You can request a quote for Adenine,6N-P-methoxybenzyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adenine,6N-P-methoxybenzyl?
Yes, KEHONG BIO provides custom synthesis services for Adenine,6N-P-methoxybenzyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.