7-Benzyl-8-dimethylamino-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
TL;DR: 7-Benzyl-8-dimethylamino-1,3-dimethyl-3,7-dihydro-purine-2,6-dione (CAS 34594-77-9) is a chemical compound with molecular formula C16H19N5O2 and molecular weight 313.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-8-(dimethylamino)-1,3-dimethylpurine-2,6-dione
Also Known As: 7-Benzyl-8-dimethylaminotheophyllin, BAS 01547275, UPCMLD0ENAT5731305:001, 7-Benzyl-8-dimethylamino-1,3-dimethyl-3,7-dihydro-purine-2,6-dione, F3259-0418
| Molecular Formula | C16H19N5O2 |
|---|---|
| Molecular Weight | 313.15 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.15387 |
| Heavy Atoms | 23 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 34594-77-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)C)CC3=CC=CC=C3 |
| InChIKey | LRIXBOOSBCCRSK-UHFFFAOYSA-N |
Product Overview
7-Benzyl-8-dimethylamino-1,3-dimethyl-3,7-dihydro-purine-2,6-dione (CAS 34594-77-9), with molecular formula C16H19N5O2 and molecular weight 313.15 g/mol. IUPAC: 7-benzyl-8-(dimethylamino)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-Benzyl-8-dimethylamino-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
Property Insights of 7-Benzyl-8-dimethylamino-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Benzyl-8-dimethylamino-1,3-dimethyl-3,7-dihydro-purine-2,6-dione. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Benzyl-8-dimethylamino-1,3-dimethyl-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 7-Benzyl-8-dimethylamino-1,3-dimethyl-3,7-dihydro-purine-2,6-dione has 0 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 7-Benzyl-8-dimethylamino-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
The CAS number of 7-Benzyl-8-dimethylamino-1,3-dimethyl-3,7-dihydro-purine-2,6-dione is 34594-77-9.
What is the molecular formula of 7-Benzyl-8-dimethylamino-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 7-Benzyl-8-dimethylamino-1,3-dimethyl-3,7-dihydro-purine-2,6-dione is C16H19N5O2.
What is the molecular weight of 7-Benzyl-8-dimethylamino-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 7-Benzyl-8-dimethylamino-1,3-dimethyl-3,7-dihydro-purine-2,6-dione is 313.15 g/mol.
Where can I buy 7-Benzyl-8-dimethylamino-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 7-Benzyl-8-dimethylamino-1,3-dimethyl-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 7-Benzyl-8-dimethylamino-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzyl-8-dimethylamino-1,3-dimethyl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.