7-isobutyl-3-methyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-isobutyl-3-methyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione (CAS 333752-02-6) is a chemical compound with molecular formula C18H23N5O2 and molecular weight 341.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-(2-methylpropyl)-8-(2-phenylethylamino)purine-2,6-dione
Also Known As: 7-isobutyl-3-methyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione, AB00672838-01, F0887-0015, 3-methyl-7-(2-methylpropyl)-8-(2-phenylethylamino)purine-2,6-dione, 3-methyl-7-(2-methylpropyl)-8-(phenethylamino)purine-2,6-dione
| Molecular Formula | C18H23N5O2 |
|---|---|
| Molecular Weight | 341.19 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.18518 |
| Heavy Atoms | 25 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 333752-02-6 |
|---|---|
| SMILES | CC(C)CN1C2=C(N=C1NCCC3=CC=CC=C3)N(C(=O)NC2=O)C |
| InChIKey | HRBLMSIASFDQKS-UHFFFAOYSA-N |
Product Overview
7-isobutyl-3-methyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione (CAS 333752-02-6), with molecular formula C18H23N5O2 and molecular weight 341.19 g/mol. IUPAC: 3-methyl-7-(2-methylpropyl)-8-(2-phenylethylamino)purine-2,6-dione.
Chemical Property Profile of 7-isobutyl-3-methyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-isobutyl-3-methyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-isobutyl-3-methyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-isobutyl-3-methyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-isobutyl-3-methyl-8-(phenethylamino)-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
Frequently Asked Questions
What is the CAS number of 7-isobutyl-3-methyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-isobutyl-3-methyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione is 333752-02-6.
What is the molecular formula of 7-isobutyl-3-methyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-isobutyl-3-methyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione is C18H23N5O2.
What is the molecular weight of 7-isobutyl-3-methyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-isobutyl-3-methyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione is 341.19 g/mol.
Where can I buy 7-isobutyl-3-methyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-isobutyl-3-methyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-isobutyl-3-methyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-isobutyl-3-methyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.