BAS 01058644
TL;DR: BAS 01058644 (CAS 334499-56-8) is a chemical compound with molecular formula C17H12ClF4N3O2 and molecular weight 401.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
Also Known As: BAS 01058644, A2176/0091417, isopropyl 3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate, propan-2-yl 3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
| Molecular Formula | C17H12ClF4N3O2 |
|---|---|
| Molecular Weight | 401.06 g/mol |
| LogP | 4.7728 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.05542 |
| Heavy Atoms | 27 |
| Complexity | 1013.6758 |
Chemical Identifiers
| CAS Number | 334499-56-8 |
|---|---|
| SMILES | CC(C)OC(=O)C1=NN2C(=CC(=NC2=C1Cl)C3=CC=C(C=C3)F)C(F)(F)F |
Product Overview
BAS 01058644 (CAS 334499-56-8), with molecular formula C17H12ClF4N3O2 and molecular weight 401.06 g/mol. IUPAC: propan-2-yl 3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.
Chemical Property Profile of BAS 01058644
Property Insights of BAS 01058644
The XLogP value of 4.7728 indicates that BAS 01058644 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, BAS 01058644 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01058644 has 0 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 01058644?
The CAS number of BAS 01058644 is 334499-56-8.
What is the molecular formula of BAS 01058644?
The molecular formula of BAS 01058644 is C17H12ClF4N3O2.
What is the molecular weight of BAS 01058644?
The molecular weight of BAS 01058644 is 401.06 g/mol.
Where can I buy BAS 01058644?
You can request a quote for BAS 01058644 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01058644?
Yes, KEHONG BIO provides custom synthesis services for BAS 01058644 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.