![N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]benzamide structure](/static/products/1462/14627-86-2.webp)
N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]benzamide
TL;DR: N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]benzamide (CAS 14627-86-2) is a chemical compound with molecular formula C15H15N5O3 and molecular weight 313.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]benzamide
Also Known As: N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]benzamide, n-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)methyl]benzamide, N-[(1,3-Dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)methyl]benzenecarboximidic acid
| Molecular Formula | C15H15N5O3 |
|---|---|
| Molecular Weight | 313.12 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.1175 |
| Heavy Atoms | 23 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 14627-86-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CNC(=O)C3=CC=CC=C3 |
| InChIKey | KHNBJONYZFWQNX-UHFFFAOYSA-N |
Product Overview
N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]benzamide (CAS 14627-86-2), with molecular formula C15H15N5O3 and molecular weight 313.12 g/mol. IUPAC: N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]benzamide.
Chemical Property Profile of N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]benzamide
Property Insights of N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]benzamide
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]benzamide. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]benzamide. Following Lipinski's Rule of Five, N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]benzamide 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 N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]benzamide?
The CAS number of N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]benzamide is 14627-86-2.
What is the molecular formula of N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]benzamide?
The molecular formula of N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]benzamide is C15H15N5O3.
What is the molecular weight of N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]benzamide?
The molecular weight of N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]benzamide is 313.12 g/mol.
Where can I buy N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]benzamide?
You can request a quote for N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.