3-methyl-7-(3-phenoxypropyl)-8-(propylamino)-1H-purine-2,6(3H,7H)-dione
TL;DR: 3-methyl-7-(3-phenoxypropyl)-8-(propylamino)-1H-purine-2,6(3H,7H)-dione (CAS 876892-40-9) is a chemical compound with molecular formula C18H23N5O3 and molecular weight 357.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-(3-phenoxypropyl)-8-(propylamino)purine-2,6-dione
Also Known As: BAS 12401263, 3-methyl-7-(3-phenoxypropyl)-8-(propylamino)-1H-purine-2,6(3H,7H)-dione, 3-methyl-7-(3-phenoxypropyl)-8-(propylamino)purine-2,6-dione, F3064-0085, 3-methyl-7-(3-phenoxypropyl)-8-(propylamino)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C18H23N5O3 |
|---|---|
| Molecular Weight | 357.18 g/mol |
| LogP | 1.7143 |
| Topological Polar Surface Area | 93.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 357.18008 |
| Heavy Atoms | 26 |
| Complexity | 987.7146 |
Chemical Identifiers
| CAS Number | 876892-40-9 |
|---|---|
| SMILES | CCCNC1=NC2=C(N1CCCOC3=CC=CC=C3)C(=O)NC(=O)N2C |
Product Overview
3-methyl-7-(3-phenoxypropyl)-8-(propylamino)-1H-purine-2,6(3H,7H)-dione (CAS 876892-40-9), with molecular formula C18H23N5O3 and molecular weight 357.18 g/mol. IUPAC: 3-methyl-7-(3-phenoxypropyl)-8-(propylamino)purine-2,6-dione.
Chemical Property Profile of 3-methyl-7-(3-phenoxypropyl)-8-(propylamino)-1H-purine-2,6(3H,7H)-dione
Property Insights of 3-methyl-7-(3-phenoxypropyl)-8-(propylamino)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.7143 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-7-(3-phenoxypropyl)-8-(propylamino)-1H-purine-2,6(3H,7H)-dione. The TPSA of 93.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-7-(3-phenoxypropyl)-8-(propylamino)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 3-methyl-7-(3-phenoxypropyl)-8-(propylamino)-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 3-methyl-7-(3-phenoxypropyl)-8-(propylamino)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 3-methyl-7-(3-phenoxypropyl)-8-(propylamino)-1H-purine-2,6(3H,7H)-dione is 876892-40-9.
What is the molecular formula of 3-methyl-7-(3-phenoxypropyl)-8-(propylamino)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 3-methyl-7-(3-phenoxypropyl)-8-(propylamino)-1H-purine-2,6(3H,7H)-dione is C18H23N5O3.
What is the molecular weight of 3-methyl-7-(3-phenoxypropyl)-8-(propylamino)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 3-methyl-7-(3-phenoxypropyl)-8-(propylamino)-1H-purine-2,6(3H,7H)-dione is 357.18 g/mol.
Where can I buy 3-methyl-7-(3-phenoxypropyl)-8-(propylamino)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 3-methyl-7-(3-phenoxypropyl)-8-(propylamino)-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 3-methyl-7-(3-phenoxypropyl)-8-(propylamino)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-7-(3-phenoxypropyl)-8-(propylamino)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.