BAS 01577869
TL;DR: BAS 01577869 (CAS 333436-06-9) is a chemical compound with molecular formula C17H15FN2O3S and molecular weight 346.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(2-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: BAS 01577869, AF-399/15285036, 4-[5-(2-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid, 4-(5-(2-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid, 4-[3-(2-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
| Molecular Formula | C17H15FN2O3S |
|---|---|
| Molecular Weight | 346.08 g/mol |
| LogP | 3.4297 |
| Topological Polar Surface Area | 69.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.07874 |
| Heavy Atoms | 24 |
| Complexity | 788.8932 |
Chemical Identifiers
| CAS Number | 333436-06-9 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=CS2)C(=O)CCC(=O)O)C3=CC=CC=C3F |
Product Overview
BAS 01577869 (CAS 333436-06-9), with molecular formula C17H15FN2O3S and molecular weight 346.08 g/mol. IUPAC: 4-[3-(2-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of BAS 01577869
Property Insights of BAS 01577869
The XLogP value of 3.4297 indicates that BAS 01577869 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.97 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01577869. Following Lipinski's Rule of Five, BAS 01577869 has 1 hydrogen bond donor(s) and 4 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 01577869?
The CAS number of BAS 01577869 is 333436-06-9.
What is the molecular formula of BAS 01577869?
The molecular formula of BAS 01577869 is C17H15FN2O3S.
What is the molecular weight of BAS 01577869?
The molecular weight of BAS 01577869 is 346.08 g/mol.
Where can I buy BAS 01577869?
You can request a quote for BAS 01577869 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01577869?
Yes, KEHONG BIO provides custom synthesis services for BAS 01577869 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.