![8-[(2-chlorobenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/669/669754-07-8.png)
8-[(2-chlorobenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-[(2-chlorobenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 669754-07-8) is a chemical compound with molecular formula C14H14ClN5O2 and molecular weight 319.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2-chlorophenyl)methylamino]-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8-[(2-chlorobenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, A3584/0152084, 8-[(2-chlorophenyl)methylamino]-1,3-dimethyl-7H-purine-2,6-dione, 8-((2-chlorobenzyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-{[(2-CHLOROPHENYL)METHYL]AMINO}-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C14H14ClN5O2 |
|---|---|
| Molecular Weight | 319.08 g/mol |
| LogP | 1.2258 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.0836 |
| Heavy Atoms | 22 |
| Complexity | 969.50415 |
Chemical Identifiers
| CAS Number | 669754-07-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCC3=CC=CC=C3Cl |
Product Overview
8-[(2-chlorobenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 669754-07-8), with molecular formula C14H14ClN5O2 and molecular weight 319.08 g/mol. IUPAC: 8-[(2-chlorophenyl)methylamino]-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-[(2-chlorobenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-[(2-chlorobenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.2258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[(2-chlorobenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 84.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[(2-chlorobenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-[(2-chlorobenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione has 2 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 8-[(2-chlorobenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-[(2-chlorobenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 669754-07-8.
What is the molecular formula of 8-[(2-chlorobenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-[(2-chlorobenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C14H14ClN5O2.
What is the molecular weight of 8-[(2-chlorobenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-[(2-chlorobenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 319.08 g/mol.
Where can I buy 8-[(2-chlorobenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-[(2-chlorobenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-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-[(2-chlorobenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[(2-chlorobenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.