![3,7-Dimethyl-1-(phenylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione structure](/static/products/300/300705-13-9.png)
3,7-Dimethyl-1-(phenylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione
TL;DR: 3,7-Dimethyl-1-(phenylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione (CAS 300705-13-9) is a chemical compound with molecular formula C21H21N5O2 and molecular weight 375.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-8-(benzylamino)-3,7-dimethylpurine-2,6-dione
Also Known As: BAS 00732976, 1-benzyl-8-(benzylamino)-3,7-dimethylpurine-2,6-dione, 3,7-dimethyl-1-(phenylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione, 1-benzyl-8-(benzylamino)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 1-Benzyl-8-benzylamino-3,7-dimethyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C21H21N5O2 |
|---|---|
| Molecular Weight | 375.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.16953 |
| Heavy Atoms | 28 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 300705-13-9 |
|---|---|
| SMILES | CN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C |
| InChIKey | ZEUFAGMUQAKCPC-UHFFFAOYSA-N |
Product Overview
3,7-Dimethyl-1-(phenylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione (CAS 300705-13-9), with molecular formula C21H21N5O2 and molecular weight 375.17 g/mol. IUPAC: 1-benzyl-8-(benzylamino)-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 3,7-Dimethyl-1-(phenylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione
Property Insights of 3,7-Dimethyl-1-(phenylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dimethyl-1-(phenylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Dimethyl-1-(phenylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione. Following Lipinski's Rule of Five, 3,7-Dimethyl-1-(phenylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione has 1 hydrogen bond donor(s) and 4 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 3,7-Dimethyl-1-(phenylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione?
The CAS number of 3,7-Dimethyl-1-(phenylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione is 300705-13-9.
What is the molecular formula of 3,7-Dimethyl-1-(phenylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione?
The molecular formula of 3,7-Dimethyl-1-(phenylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione is C21H21N5O2.
What is the molecular weight of 3,7-Dimethyl-1-(phenylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione?
The molecular weight of 3,7-Dimethyl-1-(phenylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione is 375.17 g/mol.
Where can I buy 3,7-Dimethyl-1-(phenylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione?
You can request a quote for 3,7-Dimethyl-1-(phenylmethyl)-8-[(phenylmethyl)amino]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 3,7-Dimethyl-1-(phenylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethyl-1-(phenylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.