BAS 01058988
TL;DR: BAS 01058988 (CAS 330950-36-2) is a chemical compound with molecular formula C21H20ClF3N4O3 and molecular weight 468.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-chloro-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
Also Known As: BAS 01058988, AB00098365-01, AE-848/13196035, A2177/0091447, [3-chloro-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
| Molecular Formula | C21H20ClF3N4O3 |
|---|---|
| Molecular Weight | 468.12 g/mol |
| LogP | 4.7118 |
| Topological Polar Surface Area | 68.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 468.1176 |
| Heavy Atoms | 32 |
| Complexity | 1173.2867 |
Chemical Identifiers
| CAS Number | 330950-36-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)N4CCCCC4)Cl)OC |
Product Overview
BAS 01058988 (CAS 330950-36-2), with molecular formula C21H20ClF3N4O3 and molecular weight 468.12 g/mol. IUPAC: [3-chloro-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone.
Chemical Property Profile of BAS 01058988
Property Insights of BAS 01058988
The XLogP value of 4.7118 indicates that BAS 01058988 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.96 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01058988. Following Lipinski's Rule of Five, BAS 01058988 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 01058988?
The CAS number of BAS 01058988 is 330950-36-2.
What is the molecular formula of BAS 01058988?
The molecular formula of BAS 01058988 is C21H20ClF3N4O3.
What is the molecular weight of BAS 01058988?
The molecular weight of BAS 01058988 is 468.12 g/mol.
Where can I buy BAS 01058988?
You can request a quote for BAS 01058988 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01058988?
Yes, KEHONG BIO provides custom synthesis services for BAS 01058988 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.