![1,3-dimethyl-8-[(1-phenylethylamino)methyl]-7H-purine-2,6-dione structure](/static/products/838/838869-90-2.png)
1,3-dimethyl-8-[(1-phenylethylamino)methyl]-7H-purine-2,6-dione
TL;DR: 1,3-dimethyl-8-[(1-phenylethylamino)methyl]-7H-purine-2,6-dione (CAS 838869-90-2) is a chemical compound with molecular formula C16H19N5O2 and molecular weight 313.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-[(1-phenylethylamino)methyl]-7H-purine-2,6-dione
Also Known As: BAS 09869167, AB01256416-02, 1,3-dimethyl-8-[(1-phenylethylamino)methyl]-7H-purine-2,6-dione, F1699-0033, 1,3-dimethyl-8-(((1-phenylethyl)amino)methyl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C16H19N5O2 |
|---|---|
| Molecular Weight | 313.15 g/mol |
| LogP | 0.8111 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.15387 |
| Heavy Atoms | 23 |
| Complexity | 952.2464 |
Chemical Identifiers
| CAS Number | 838869-90-2 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)NCC2=NC3=C(N2)C(=O)N(C(=O)N3C)C |
Product Overview
1,3-dimethyl-8-[(1-phenylethylamino)methyl]-7H-purine-2,6-dione (CAS 838869-90-2), with molecular formula C16H19N5O2 and molecular weight 313.15 g/mol. IUPAC: 1,3-dimethyl-8-[(1-phenylethylamino)methyl]-7H-purine-2,6-dione.
Chemical Property Profile of 1,3-dimethyl-8-[(1-phenylethylamino)methyl]-7H-purine-2,6-dione
Property Insights of 1,3-dimethyl-8-[(1-phenylethylamino)methyl]-7H-purine-2,6-dione
The XLogP value of 0.8111 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-8-[(1-phenylethylamino)methyl]-7H-purine-2,6-dione. The TPSA of 84.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-8-[(1-phenylethylamino)methyl]-7H-purine-2,6-dione. Following Lipinski's Rule of Five, 1,3-dimethyl-8-[(1-phenylethylamino)methyl]-7H-purine-2,6-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 1,3-dimethyl-8-[(1-phenylethylamino)methyl]-7H-purine-2,6-dione?
The CAS number of 1,3-dimethyl-8-[(1-phenylethylamino)methyl]-7H-purine-2,6-dione is 838869-90-2.
What is the molecular formula of 1,3-dimethyl-8-[(1-phenylethylamino)methyl]-7H-purine-2,6-dione?
The molecular formula of 1,3-dimethyl-8-[(1-phenylethylamino)methyl]-7H-purine-2,6-dione is C16H19N5O2.
What is the molecular weight of 1,3-dimethyl-8-[(1-phenylethylamino)methyl]-7H-purine-2,6-dione?
The molecular weight of 1,3-dimethyl-8-[(1-phenylethylamino)methyl]-7H-purine-2,6-dione is 313.15 g/mol.
Where can I buy 1,3-dimethyl-8-[(1-phenylethylamino)methyl]-7H-purine-2,6-dione?
You can request a quote for 1,3-dimethyl-8-[(1-phenylethylamino)methyl]-7H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-dimethyl-8-[(1-phenylethylamino)methyl]-7H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-8-[(1-phenylethylamino)methyl]-7H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.