A2977/0125475
TL;DR: A2977/0125475 (CAS 672893-10-6) is a chemical compound with molecular formula C13H15N7O4S and molecular weight 365.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanyl-1,2,4-triazol-1-yl]acetate
Also Known As: A2977/0125475, methyl 2-[5-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanyl-1,2,4-triazol-1-yl]acetate, [5-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl)-[1,2,4]triazol-1-yl]acetic acid, methyl ester, methyl {5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}acetate, methyl 2-(5-((1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-1H-1,2,4-triazol-1-yl)acetate
| Molecular Formula | C13H15N7O4S |
|---|---|
| Molecular Weight | 365.09 g/mol |
| LogP | -1.1136 |
| Topological Polar Surface Area | 118.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.09064 |
| Heavy Atoms | 25 |
| Complexity | 1090.4117 |
Chemical Identifiers
| CAS Number | 672893-10-6 |
|---|---|
| SMILES | CN1C2=C(N=C1SC3=NC=NN3CC(=O)OC)N(C(=O)N(C2=O)C)C |
Product Overview
A2977/0125475 (CAS 672893-10-6), with molecular formula C13H15N7O4S and molecular weight 365.09 g/mol. IUPAC: methyl 2-[5-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanyl-1,2,4-triazol-1-yl]acetate.
Chemical Property Profile of A2977/0125475
Property Insights of A2977/0125475
The XLogP value of -1.1136 indicates that A2977/0125475 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 118.83 Ų falls within the moderate polarity range, balancing permeability and solubility for A2977/0125475. Following Lipinski's Rule of Five, A2977/0125475 has 0 hydrogen bond donor(s) and 8 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 A2977/0125475?
The CAS number of A2977/0125475 is 672893-10-6.
What is the molecular formula of A2977/0125475?
The molecular formula of A2977/0125475 is C13H15N7O4S.
What is the molecular weight of A2977/0125475?
The molecular weight of A2977/0125475 is 365.09 g/mol.
Where can I buy A2977/0125475?
You can request a quote for A2977/0125475 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2977/0125475?
Yes, KEHONG BIO provides custom synthesis services for A2977/0125475 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.