2-苯氨基-6-环己基甲氧基嘌呤
TL;DR: 2-苯氨基-6-环己基甲氧基嘌呤 (CAS 444722-80-9) is a chemical compound with molecular formula C18H21N5O and molecular weight 323.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-苯氨基-6-环己基甲氧基嘌呤
6-(cyclohexylmethoxy)-N-phenyl-7H-purin-2-amine
Also Known As: 2-anilino-6-cyclohexylmethoxypurine, 1h1q, 6-(cyclohexylmethoxy)-N-phenyl-7H-purin-2-amine, O6-Cyclohexylmethylguanine deriv. 2, 6-(cyclohexylmethoxy)-N-phenyl-9H-purin-2-amine
| Molecular Formula | C18H21N5O |
|---|---|
| Molecular Weight | 323.17 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.17462 |
| Heavy Atoms | 24 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 444722-80-9 |
|---|---|
| SMILES | C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)NC4=CC=CC=C4 |
| InChIKey | XWWRLKIBRPJQJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-苯氨基-6-环己基甲氧基嘌呤 (CAS 444722-80-9), with molecular formula C18H21N5O and molecular weight 323.17 g/mol. IUPAC: 6-(cyclohexylmethoxy)-N-phenyl-7H-purin-2-amine.
Chemical Property Profile of 2-苯氨基-6-环己基甲氧基嘌呤
Property Insights of 2-苯氨基-6-环己基甲氧基嘌呤
The XLogP value of 4.7 indicates that 2-苯氨基-6-环己基甲氧基嘌呤 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-苯氨基-6-环己基甲氧基嘌呤. Following Lipinski's Rule of Five, 2-苯氨基-6-环己基甲氧基嘌呤 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 2-苯氨基-6-环己基甲氧基嘌呤?
The CAS number of 2-苯氨基-6-环己基甲氧基嘌呤 is 444722-80-9.
What is the molecular formula of 2-苯氨基-6-环己基甲氧基嘌呤?
The molecular formula of 2-苯氨基-6-环己基甲氧基嘌呤 is C18H21N5O.
What is the molecular weight of 2-苯氨基-6-环己基甲氧基嘌呤?
The molecular weight of 2-苯氨基-6-环己基甲氧基嘌呤 is 323.17 g/mol.
Where can I buy 2-苯氨基-6-环己基甲氧基嘌呤?
You can request a quote for 2-苯氨基-6-环己基甲氧基嘌呤 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-苯氨基-6-环己基甲氧基嘌呤?
Yes, KEHONG BIO provides custom synthesis services for 2-苯氨基-6-环己基甲氧基嘌呤 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.