7-allyl-8-((3-hydroxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-allyl-8-((3-hydroxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 300835-82-9) is a chemical compound with molecular formula C12H17N5O3 and molecular weight 279.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3-hydroxypropylamino)-3-methyl-7-prop-2-enylpurine-2,6-dione
Also Known As: 7-allyl-8-((3-hydroxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione, VU0607581-1, 8-(3-hydroxypropylamino)-3-methyl-7-prop-2-enylpurine-2,6-dione, F3259-0237, 7-allyl-8-((3-hydroxypropyl)amino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C12H17N5O3 |
|---|---|
| Molecular Weight | 279.13 g/mol |
| LogP | -0.5964 |
| Topological Polar Surface Area | 104.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 279.13315 |
| Heavy Atoms | 20 |
| Complexity | 739.8564 |
Chemical Identifiers
| CAS Number | 300835-82-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCO)CC=C |
Product Overview
7-allyl-8-((3-hydroxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 300835-82-9), with molecular formula C12H17N5O3 and molecular weight 279.13 g/mol. IUPAC: 8-(3-hydroxypropylamino)-3-methyl-7-prop-2-enylpurine-2,6-dione.
Chemical Property Profile of 7-allyl-8-((3-hydroxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-allyl-8-((3-hydroxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of -0.5964 indicates that 7-allyl-8-((3-hydroxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-allyl-8-((3-hydroxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-allyl-8-((3-hydroxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione has 3 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 7-allyl-8-((3-hydroxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-allyl-8-((3-hydroxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione is 300835-82-9.
What is the molecular formula of 7-allyl-8-((3-hydroxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-allyl-8-((3-hydroxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione is C12H17N5O3.
What is the molecular weight of 7-allyl-8-((3-hydroxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-allyl-8-((3-hydroxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione is 279.13 g/mol.
Where can I buy 7-allyl-8-((3-hydroxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-allyl-8-((3-hydroxypropyl)amino)-3-methyl-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-allyl-8-((3-hydroxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-allyl-8-((3-hydroxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.