BAS 11416820
TL;DR: BAS 11416820 (CAS 725217-58-3) is a chemical compound with molecular formula C16H17FN4O3 and molecular weight 332.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 7-(4-fluorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Also Known As: BAS 11416820, 2-methoxyethyl 7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate, 2-methoxyethyl 7-(4-fluorophenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate, 2-methoxyethyl 7-(4-fluorophenyl)-5-methyl-4,7,8-trihydro-1,2,4-triazolo[1,5-a ]pyrimidine-6-carboxylate, 2-methoxyethyl 7-(4-fluorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
| Molecular Formula | C16H17FN4O3 |
|---|---|
| Molecular Weight | 332.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.12848 |
| Heavy Atoms | 24 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 725217-58-3 |
|---|---|
| SMILES | CC1=C(C(N2C(=NC=N2)N1)C3=CC=C(C=C3)F)C(=O)OCCOC |
| InChIKey | NMOSGAGFDBLHPB-UHFFFAOYSA-N |
Product Overview
BAS 11416820 (CAS 725217-58-3), with molecular formula C16H17FN4O3 and molecular weight 332.13 g/mol. IUPAC: 2-methoxyethyl 7-(4-fluorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 11416820
Property Insights of BAS 11416820
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 11416820. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11416820. Following Lipinski's Rule of Five, BAS 11416820 has 1 hydrogen bond donor(s) and 7 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 BAS 11416820?
The CAS number of BAS 11416820 is 725217-58-3.
What is the molecular formula of BAS 11416820?
The molecular formula of BAS 11416820 is C16H17FN4O3.
What is the molecular weight of BAS 11416820?
The molecular weight of BAS 11416820 is 332.13 g/mol.
Where can I buy BAS 11416820?
You can request a quote for BAS 11416820 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11416820?
Yes, KEHONG BIO provides custom synthesis services for BAS 11416820 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.