BAS 01058992
TL;DR: BAS 01058992 (CAS 313396-58-6) is a chemical compound with molecular formula C27H25ClF3N5O3 and molecular weight 559.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzylpiperazin-1-yl)-[3-chloro-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
Also Known As: BAS 01058992, (4-benzylpiperazin-1-yl)-[3-chloro-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone, 1-BENZYL-4-[3-CHLORO-5-(3,4-DIMETHOXYPHENYL)-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBONYL]PIPERAZINE, 2-[(4-benzyl-1-piperazinyl)carbonyl]-3-chloro-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine, 5-(3,4-dimethoxyphenyl)-3-chloro-7-(trifluoromethyl)(8-hydropyrazolo[1,5-a]pyr imidin-2-yl) 4-benzylpiperazinyl ketone
| Molecular Formula | C27H25ClF3N5O3 |
|---|---|
| Molecular Weight | 559.16 g/mol |
| LogP | 5.0437 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 559.1598 |
| Heavy Atoms | 39 |
| Complexity | 1502.3228 |
Chemical Identifiers
| CAS Number | 313396-58-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)N4CCN(CC4)CC5=CC=CC=C5)Cl)OC |
Product Overview
BAS 01058992 (CAS 313396-58-6), with molecular formula C27H25ClF3N5O3 and molecular weight 559.16 g/mol. IUPAC: (4-benzylpiperazin-1-yl)-[3-chloro-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone.
Chemical Property Profile of BAS 01058992
Property Insights of BAS 01058992
The XLogP value of 5.0437 indicates that BAS 01058992 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01058992. Following Lipinski's Rule of Five, BAS 01058992 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01058992?
The CAS number of BAS 01058992 is 313396-58-6.
What is the molecular formula of BAS 01058992?
The molecular formula of BAS 01058992 is C27H25ClF3N5O3.
What is the molecular weight of BAS 01058992?
The molecular weight of BAS 01058992 is 559.16 g/mol.
Where can I buy BAS 01058992?
You can request a quote for BAS 01058992 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01058992?
Yes, KEHONG BIO provides custom synthesis services for BAS 01058992 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.