8-(allylamino)-3-methyl-7-(3-phenoxypropyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(allylamino)-3-methyl-7-(3-phenoxypropyl)-1H-purine-2,6(3H,7H)-dione (CAS 876892-35-2) is a chemical compound with molecular formula C18H21N5O3 and molecular weight 355.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-(3-phenoxypropyl)-8-(prop-2-enylamino)purine-2,6-dione
Also Known As: BAS 12401262, VU0508224-1, F3064-0084, 8-(allylamino)-3-methyl-7-(3-phenoxypropyl)-1H-purine-2,6(3H,7H)-dione, 3-methyl-7-(3-phenoxypropyl)-8-(prop-2-enylamino)purine-2,6-dione
| Molecular Formula | C18H21N5O3 |
|---|---|
| Molecular Weight | 355.16 g/mol |
| LogP | 1.4903 |
| Topological Polar Surface Area | 93.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 355.16443 |
| Heavy Atoms | 26 |
| Complexity | 1016.96796 |
Chemical Identifiers
| CAS Number | 876892-35-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC=C)CCCOC3=CC=CC=C3 |
Product Overview
8-(allylamino)-3-methyl-7-(3-phenoxypropyl)-1H-purine-2,6(3H,7H)-dione (CAS 876892-35-2), with molecular formula C18H21N5O3 and molecular weight 355.16 g/mol. IUPAC: 3-methyl-7-(3-phenoxypropyl)-8-(prop-2-enylamino)purine-2,6-dione.
Chemical Property Profile of 8-(allylamino)-3-methyl-7-(3-phenoxypropyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(allylamino)-3-methyl-7-(3-phenoxypropyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.4903 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(allylamino)-3-methyl-7-(3-phenoxypropyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 93.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(allylamino)-3-methyl-7-(3-phenoxypropyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(allylamino)-3-methyl-7-(3-phenoxypropyl)-1H-purine-2,6(3H,7H)-dione has 2 hydrogen bond donor(s) and 5 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)-3-methyl-7-(3-phenoxypropyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(allylamino)-3-methyl-7-(3-phenoxypropyl)-1H-purine-2,6(3H,7H)-dione is 876892-35-2.
What is the molecular formula of 8-(allylamino)-3-methyl-7-(3-phenoxypropyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(allylamino)-3-methyl-7-(3-phenoxypropyl)-1H-purine-2,6(3H,7H)-dione is C18H21N5O3.
What is the molecular weight of 8-(allylamino)-3-methyl-7-(3-phenoxypropyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(allylamino)-3-methyl-7-(3-phenoxypropyl)-1H-purine-2,6(3H,7H)-dione is 355.16 g/mol.
Where can I buy 8-(allylamino)-3-methyl-7-(3-phenoxypropyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(allylamino)-3-methyl-7-(3-phenoxypropyl)-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)-3-methyl-7-(3-phenoxypropyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(allylamino)-3-methyl-7-(3-phenoxypropyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.