9H-Purin-6-amine, 9-(2,3,5,6-tetramethylbenzoyl)-
TL;DR: 9H-Purin-6-amine, 9-(2,3,5,6-tetramethylbenzoyl)- (CAS 41601-44-9) is a chemical compound with molecular formula C16H17N5O and molecular weight 295.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-aminopurin-9-yl)-(2,3,5,6-tetramethylphenyl)methanone
Also Known As: 9-(2,3,5,6-Tetramethylbenzoyl)adenine, 9H-Purin-6-amine, 9-(2,3,5,6-tetramethylbenzoyl)-, 9-(2,3,5,6-Tetramethylbenzoyl)-9H-purin-6-amine, 9-(2,3,5,6-Tetramethylbenzoyl)adenin, (6-amino-9h-purin-9-yl)(2,3,5,6-tetramethylphenyl)methanone
| Molecular Formula | C16H17N5O |
|---|---|
| Molecular Weight | 295.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.1433 |
| Heavy Atoms | 22 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 41601-44-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C)C(=O)N2C=NC3=C(N=CN=C32)N)C)C |
| InChIKey | XJHVHCIMHGZYCX-UHFFFAOYSA-N |
Product Overview
9H-Purin-6-amine, 9-(2,3,5,6-tetramethylbenzoyl)- (CAS 41601-44-9), with molecular formula C16H17N5O and molecular weight 295.14 g/mol. IUPAC: (6-aminopurin-9-yl)-(2,3,5,6-tetramethylphenyl)methanone.
Chemical Property Profile of 9H-Purin-6-amine, 9-(2,3,5,6-tetramethylbenzoyl)-
Property Insights of 9H-Purin-6-amine, 9-(2,3,5,6-tetramethylbenzoyl)-
The XLogP value of 3.0 indicates that 9H-Purin-6-amine, 9-(2,3,5,6-tetramethylbenzoyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-Purin-6-amine, 9-(2,3,5,6-tetramethylbenzoyl)-. Following Lipinski's Rule of Five, 9H-Purin-6-amine, 9-(2,3,5,6-tetramethylbenzoyl)- has 1 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 9H-Purin-6-amine, 9-(2,3,5,6-tetramethylbenzoyl)-?
The CAS number of 9H-Purin-6-amine, 9-(2,3,5,6-tetramethylbenzoyl)- is 41601-44-9.
What is the molecular formula of 9H-Purin-6-amine, 9-(2,3,5,6-tetramethylbenzoyl)-?
The molecular formula of 9H-Purin-6-amine, 9-(2,3,5,6-tetramethylbenzoyl)- is C16H17N5O.
What is the molecular weight of 9H-Purin-6-amine, 9-(2,3,5,6-tetramethylbenzoyl)-?
The molecular weight of 9H-Purin-6-amine, 9-(2,3,5,6-tetramethylbenzoyl)- is 295.14 g/mol.
Where can I buy 9H-Purin-6-amine, 9-(2,3,5,6-tetramethylbenzoyl)-?
You can request a quote for 9H-Purin-6-amine, 9-(2,3,5,6-tetramethylbenzoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Purin-6-amine, 9-(2,3,5,6-tetramethylbenzoyl)-?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purin-6-amine, 9-(2,3,5,6-tetramethylbenzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.