8-Benzylamino-7-(2-methoxy-ethyl)-3-methyl-3,7-dihydro-purine-2,6-dione
TL;DR: 8-Benzylamino-7-(2-methoxy-ethyl)-3-methyl-3,7-dihydro-purine-2,6-dione (CAS 333769-08-7) is a chemical compound with molecular formula C16H19N5O3 and molecular weight 329.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(benzylamino)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
Also Known As: BAS 00964928, UPCMLD0ENAT5733413:001, 8-Benzylamino-7-(2-methoxy-ethyl)-3-methyl-3,7-dihydro-purine-2,6-dione, 8-(benzylamino)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione, 8-(benzylamino)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C16H19N5O3 |
|---|---|
| Molecular Weight | 329.15 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 88.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.1488 |
| Heavy Atoms | 24 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 333769-08-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3)CCOC |
| InChIKey | LOSYMXMLQSEHPO-UHFFFAOYSA-N |
Product Overview
8-Benzylamino-7-(2-methoxy-ethyl)-3-methyl-3,7-dihydro-purine-2,6-dione (CAS 333769-08-7), with molecular formula C16H19N5O3 and molecular weight 329.15 g/mol. IUPAC: 8-(benzylamino)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-Benzylamino-7-(2-methoxy-ethyl)-3-methyl-3,7-dihydro-purine-2,6-dione
Property Insights of 8-Benzylamino-7-(2-methoxy-ethyl)-3-methyl-3,7-dihydro-purine-2,6-dione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Benzylamino-7-(2-methoxy-ethyl)-3-methyl-3,7-dihydro-purine-2,6-dione. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Benzylamino-7-(2-methoxy-ethyl)-3-methyl-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 8-Benzylamino-7-(2-methoxy-ethyl)-3-methyl-3,7-dihydro-purine-2,6-dione 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 8-Benzylamino-7-(2-methoxy-ethyl)-3-methyl-3,7-dihydro-purine-2,6-dione?
The CAS number of 8-Benzylamino-7-(2-methoxy-ethyl)-3-methyl-3,7-dihydro-purine-2,6-dione is 333769-08-7.
What is the molecular formula of 8-Benzylamino-7-(2-methoxy-ethyl)-3-methyl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 8-Benzylamino-7-(2-methoxy-ethyl)-3-methyl-3,7-dihydro-purine-2,6-dione is C16H19N5O3.
What is the molecular weight of 8-Benzylamino-7-(2-methoxy-ethyl)-3-methyl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 8-Benzylamino-7-(2-methoxy-ethyl)-3-methyl-3,7-dihydro-purine-2,6-dione is 329.15 g/mol.
Where can I buy 8-Benzylamino-7-(2-methoxy-ethyl)-3-methyl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 8-Benzylamino-7-(2-methoxy-ethyl)-3-methyl-3,7-dihydro-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Benzylamino-7-(2-methoxy-ethyl)-3-methyl-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-Benzylamino-7-(2-methoxy-ethyl)-3-methyl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.