8-(benzylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(benzylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 300392-63-6) is a chemical compound with molecular formula C18H23N5O2 and molecular weight 341.18518 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-(benzylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5733445:001, 8-(benzylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-(benzylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione, VU0510983-1, F3164-0676
Technical Specifications
| Molecular Formula | C18H23N5O2 |
| Molecular Weight | 341.18518 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 79.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.18518 Da |
| Heavy Atoms | 25 |
| Complexity | 492.0 |
| SMILES | CC(C)CCN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)NC2=O)C |
| InChIKey | ZORARNLXWGQBBV-UHFFFAOYSA-N |
Chemical Property Profile of 8-(benzylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(benzylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(benzylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(benzylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(benzylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-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
What is the CAS number of 8-(benzylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(benzylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione is 300392-63-6.
What is the molecular formula of 8-(benzylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(benzylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione is C18H23N5O2.
What is the molecular weight of 8-(benzylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(benzylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione is 341.18518 g/mol.
Where can I buy 8-(benzylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(benzylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-(benzylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, CoreyChem provides custom synthesis services for 8-(benzylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.