8-(allylamino)-1,3-dimethyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(allylamino)-1,3-dimethyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione (CAS 375355-28-5) is a chemical compound with molecular formula C18H21N5O2 and molecular weight 339.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(prop-2-enylamino)purine-2,6-dione
Also Known As: BAS 02378981, 8-(allylamino)-1,3-dimethyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione, F0823-0191, 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(prop-2-enylamino)purine-2,6-dione, 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[(prop-2-en-1-yl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C18H21N5O2 |
|---|---|
| Molecular Weight | 339.17 g/mol |
| LogP | 1.38832 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.16953 |
| Heavy Atoms | 25 |
| Complexity | 1054.2356 |
Chemical Identifiers
| CAS Number | 375355-28-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(N=C2NCC=C)N(C(=O)N(C3=O)C)C |
Product Overview
8-(allylamino)-1,3-dimethyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione (CAS 375355-28-5), with molecular formula C18H21N5O2 and molecular weight 339.17 g/mol. IUPAC: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(prop-2-enylamino)purine-2,6-dione.
Chemical Property Profile of 8-(allylamino)-1,3-dimethyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(allylamino)-1,3-dimethyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.38832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(allylamino)-1,3-dimethyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(allylamino)-1,3-dimethyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(allylamino)-1,3-dimethyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-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 8-(allylamino)-1,3-dimethyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(allylamino)-1,3-dimethyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is 375355-28-5.
What is the molecular formula of 8-(allylamino)-1,3-dimethyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(allylamino)-1,3-dimethyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is C18H21N5O2.
What is the molecular weight of 8-(allylamino)-1,3-dimethyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(allylamino)-1,3-dimethyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is 339.17 g/mol.
Where can I buy 8-(allylamino)-1,3-dimethyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(allylamino)-1,3-dimethyl-7-(4-methylbenzyl)-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 8-(allylamino)-1,3-dimethyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(allylamino)-1,3-dimethyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.