BAS 00435058
TL;DR: BAS 00435058 (CAS 313987-73-4) is a chemical compound with molecular formula C24H13ClF3N5O4S and molecular weight 559.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(3-chlorophenoxy)-5-nitrophenyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: BAS 00435058, N-[3-(3-chlorophenoxy)-5-nitrophenyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, N-{3-(3-chlorophenoxy)-5-nitrophenyl}-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, N-[3-(3-CHLOROPHENOXY)-5-NITROPHENYL]-5-(THIOPHEN-2-YL)-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXAMIDE
| Molecular Formula | C24H13ClF3N5O4S |
|---|---|
| Molecular Weight | 559.03 g/mol |
| LogP | 7.0828 |
| Topological Polar Surface Area | 111.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 559.0329 |
| Heavy Atoms | 38 |
| Complexity | 1688.7125 |
Chemical Identifiers
| CAS Number | 313987-73-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=CS5)C(F)(F)F |
Product Overview
BAS 00435058 (CAS 313987-73-4), with molecular formula C24H13ClF3N5O4S and molecular weight 559.03 g/mol. IUPAC: N-[3-(3-chlorophenoxy)-5-nitrophenyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of BAS 00435058
Property Insights of BAS 00435058
The XLogP value of 7.0828 indicates that BAS 00435058 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.66 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00435058. Following Lipinski's Rule of Five, BAS 00435058 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00435058?
The CAS number of BAS 00435058 is 313987-73-4.
What is the molecular formula of BAS 00435058?
The molecular formula of BAS 00435058 is C24H13ClF3N5O4S.
What is the molecular weight of BAS 00435058?
The molecular weight of BAS 00435058 is 559.03 g/mol.
Where can I buy BAS 00435058?
You can request a quote for BAS 00435058 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00435058?
Yes, KEHONG BIO provides custom synthesis services for BAS 00435058 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.