2-(3-methyl-2,6-dioxo-8-(phenylamino)-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid
TL;DR: 2-(3-methyl-2,6-dioxo-8-(phenylamino)-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid (CAS 107608-74-2) is a chemical compound with molecular formula C14H13N5O4 and molecular weight 315.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(8-anilino-3-methyl-2,6-dioxopurin-7-yl)acetic acid
Also Known As: (3-amino-4-methylbenzyl)dimethylamine, 2-(3-methyl-2,6-dioxo-8-(phenylamino)-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid, 2-(8-anilino-3-methyl-2,6-dioxopurin-7-yl)acetic acid, F5038-0001, 2-(8-anilino-3-methyl-2,6-dioxo-purin-7-yl)acetic Acid
| Molecular Formula | C14H13N5O4 |
|---|---|
| Molecular Weight | 315.10 g/mol |
| LogP | 0.2515 |
| Topological Polar Surface Area | 122.01 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.09674 |
| Heavy Atoms | 23 |
| Complexity | 999.6649 |
Chemical Identifiers
| CAS Number | 107608-74-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3=CC=CC=C3)CC(=O)O |
Product Overview
2-(3-methyl-2,6-dioxo-8-(phenylamino)-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid (CAS 107608-74-2), with molecular formula C14H13N5O4 and molecular weight 315.10 g/mol. IUPAC: 2-(8-anilino-3-methyl-2,6-dioxopurin-7-yl)acetic acid.
Chemical Property Profile of 2-(3-methyl-2,6-dioxo-8-(phenylamino)-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid
Property Insights of 2-(3-methyl-2,6-dioxo-8-(phenylamino)-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid
The XLogP value of 0.2515 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-methyl-2,6-dioxo-8-(phenylamino)-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid. The TPSA of 122.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-methyl-2,6-dioxo-8-(phenylamino)-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid. Following Lipinski's Rule of Five, 2-(3-methyl-2,6-dioxo-8-(phenylamino)-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid 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 2-(3-methyl-2,6-dioxo-8-(phenylamino)-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid?
The CAS number of 2-(3-methyl-2,6-dioxo-8-(phenylamino)-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid is 107608-74-2.
What is the molecular formula of 2-(3-methyl-2,6-dioxo-8-(phenylamino)-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid?
The molecular formula of 2-(3-methyl-2,6-dioxo-8-(phenylamino)-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid is C14H13N5O4.
What is the molecular weight of 2-(3-methyl-2,6-dioxo-8-(phenylamino)-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid?
The molecular weight of 2-(3-methyl-2,6-dioxo-8-(phenylamino)-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid is 315.10 g/mol.
Where can I buy 2-(3-methyl-2,6-dioxo-8-(phenylamino)-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid?
You can request a quote for 2-(3-methyl-2,6-dioxo-8-(phenylamino)-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-(3-methyl-2,6-dioxo-8-(phenylamino)-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-methyl-2,6-dioxo-8-(phenylamino)-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.