BAS 12290904
TL;DR: BAS 12290904 (CAS 777871-35-9) is a chemical compound with molecular formula C18H18F2N4O4S and molecular weight 424.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-(3,5-difluorophenyl)-2-(2-methoxy-2-oxoethyl)sulfanyl-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Also Known As: BAS 12290904, ethyl 7-(3,5-difluorophenyl)-2-[(2-methoxy-2-oxoethyl)sulfanyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate, ethyl 7-(3,5-difluorophenyl)-2-((2-methoxy-2-oxoethyl)thio)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate, ethyl 7-(3,5-difluorophenyl)-2-(2-methoxy-2-oxoethyl)sulfanyl-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate, ethyl 7-(3,5-difluorophenyl)-2-[(2-methoxy-2-oxoethyl)sulfanyl]-5-methyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
| Molecular Formula | C18H18F2N4O4S |
|---|---|
| Molecular Weight | 424.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 424.10168 |
| Heavy Atoms | 29 |
| Complexity | 658.0 |
Chemical Identifiers
| CAS Number | 777871-35-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=NC(=NN2C1C3=CC(=CC(=C3)F)F)SCC(=O)OC)C |
| InChIKey | DKKOAOFAAGOJIO-UHFFFAOYSA-N |
Product Overview
BAS 12290904 (CAS 777871-35-9), with molecular formula C18H18F2N4O4S and molecular weight 424.10 g/mol. IUPAC: ethyl 7-(3,5-difluorophenyl)-2-(2-methoxy-2-oxoethyl)sulfanyl-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 12290904
Property Insights of BAS 12290904
The XLogP value of 3.4 indicates that BAS 12290904 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12290904. Following Lipinski's Rule of Five, BAS 12290904 has 1 hydrogen bond donor(s) and 10 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 12290904?
The CAS number of BAS 12290904 is 777871-35-9.
What is the molecular formula of BAS 12290904?
The molecular formula of BAS 12290904 is C18H18F2N4O4S.
What is the molecular weight of BAS 12290904?
The molecular weight of BAS 12290904 is 424.10 g/mol.
Where can I buy BAS 12290904?
You can request a quote for BAS 12290904 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12290904?
Yes, KEHONG BIO provides custom synthesis services for BAS 12290904 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.