A2507/0106581
TL;DR: A2507/0106581 (CAS 405279-19-8) is a chemical compound with molecular formula C14H12N4O4 and molecular weight 300.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methyl-7-oxo-6-phenoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid
Also Known As: A2507/0106581, (5-methyl-7-oxo-6-phenoxy-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid, 1,7-Dihydro-5-methyl-7-oxo-6-phenoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-acetic acid, 2-(5-methyl-7-oxo-6-phenoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid, (5-Methyl-7-oxo-6-phenoxy-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid
| Molecular Formula | C14H12N4O4 |
|---|---|
| Molecular Weight | 300.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.08585 |
| Heavy Atoms | 22 |
| Complexity | 602.0 |
Chemical Identifiers
| CAS Number | 405279-19-8 |
|---|---|
| SMILES | CC1=C(C(=O)N2C(=N1)N=C(N2)CC(=O)O)OC3=CC=CC=C3 |
| InChIKey | AYIZYDUTEUBNER-UHFFFAOYSA-N |
Product Overview
A2507/0106581 (CAS 405279-19-8), with molecular formula C14H12N4O4 and molecular weight 300.09 g/mol. IUPAC: 2-(5-methyl-7-oxo-6-phenoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid.
Chemical Property Profile of A2507/0106581
Property Insights of A2507/0106581
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2507/0106581. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A2507/0106581. Following Lipinski's Rule of Five, A2507/0106581 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 A2507/0106581?
The CAS number of A2507/0106581 is 405279-19-8.
What is the molecular formula of A2507/0106581?
The molecular formula of A2507/0106581 is C14H12N4O4.
What is the molecular weight of A2507/0106581?
The molecular weight of A2507/0106581 is 300.09 g/mol.
Where can I buy A2507/0106581?
You can request a quote for A2507/0106581 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2507/0106581?
Yes, KEHONG BIO provides custom synthesis services for A2507/0106581 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.