BAS 01058444
TL;DR: BAS 01058444 (CAS 312934-97-7) is a chemical compound with molecular formula C14H9ClF3N3O3 and molecular weight 359.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-chloro-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
Also Known As: BAS 01058444, AE-848/13197023, ethyl 3-chloro-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate, ethyl 3-chloro-5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate, ethyl 3-chloro-5-(2-furyl)-7-(trifluoromethyl)-8-hydropyrazolo[1,5-a]pyrimidin e-2-carboxylate
| Molecular Formula | C14H9ClF3N3O3 |
|---|---|
| Molecular Weight | 359.03 g/mol |
| LogP | 3.8382 |
| Topological Polar Surface Area | 69.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.02844 |
| Heavy Atoms | 24 |
| Complexity | 903.50586 |
Chemical Identifiers
| CAS Number | 312934-97-7 |
|---|---|
| SMILES | CCOC(=O)C1=NN2C(=CC(=NC2=C1Cl)C3=CC=CO3)C(F)(F)F |
Product Overview
BAS 01058444 (CAS 312934-97-7), with molecular formula C14H9ClF3N3O3 and molecular weight 359.03 g/mol. IUPAC: ethyl 3-chloro-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.
Chemical Property Profile of BAS 01058444
Property Insights of BAS 01058444
The XLogP value of 3.8382 indicates that BAS 01058444 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01058444. Following Lipinski's Rule of Five, BAS 01058444 has 0 hydrogen bond donor(s) and 5 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 01058444?
The CAS number of BAS 01058444 is 312934-97-7.
What is the molecular formula of BAS 01058444?
The molecular formula of BAS 01058444 is C14H9ClF3N3O3.
What is the molecular weight of BAS 01058444?
The molecular weight of BAS 01058444 is 359.03 g/mol.
Where can I buy BAS 01058444?
You can request a quote for BAS 01058444 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01058444?
Yes, KEHONG BIO provides custom synthesis services for BAS 01058444 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.