2-(8-(azepan-1-yl)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid
TL;DR: 2-(8-(azepan-1-yl)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid (CAS 313549-56-3) is a chemical compound with molecular formula C14H19N5O4 and molecular weight 321.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[8-(azepan-1-yl)-3-methyl-2,6-dioxopurin-7-yl]acetic acid
Also Known As: BAS 00340082, 2-[8-(azepan-1-yl)-3-methyl-2,6-dioxopurin-7-yl]acetic acid, F0373-0255, 2-(8-(azepan-1-yl)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid, 2-[8-(azepan-1-yl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]acetic acid
| Molecular Formula | C14H19N5O4 |
|---|---|
| Molecular Weight | 321.14 g/mol |
| LogP | -0.1117 |
| Topological Polar Surface Area | 113.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.1437 |
| Heavy Atoms | 23 |
| Complexity | 854.4004 |
Chemical Identifiers
| CAS Number | 313549-56-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CC(=O)O |
Product Overview
2-(8-(azepan-1-yl)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid (CAS 313549-56-3), with molecular formula C14H19N5O4 and molecular weight 321.14 g/mol. IUPAC: 2-[8-(azepan-1-yl)-3-methyl-2,6-dioxopurin-7-yl]acetic acid.
Chemical Property Profile of 2-(8-(azepan-1-yl)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid
Property Insights of 2-(8-(azepan-1-yl)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid
The XLogP value of -0.1117 indicates that 2-(8-(azepan-1-yl)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(8-(azepan-1-yl)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid. Following Lipinski's Rule of Five, 2-(8-(azepan-1-yl)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid 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 2-(8-(azepan-1-yl)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid?
The CAS number of 2-(8-(azepan-1-yl)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid is 313549-56-3.
What is the molecular formula of 2-(8-(azepan-1-yl)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid?
The molecular formula of 2-(8-(azepan-1-yl)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid is C14H19N5O4.
What is the molecular weight of 2-(8-(azepan-1-yl)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid?
The molecular weight of 2-(8-(azepan-1-yl)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid is 321.14 g/mol.
Where can I buy 2-(8-(azepan-1-yl)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid?
You can request a quote for 2-(8-(azepan-1-yl)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(8-(azepan-1-yl)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(8-(azepan-1-yl)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.