ChemDiv1_003109
TL;DR: ChemDiv1_003109 (CAS 313396-13-3) is a chemical compound with molecular formula C19H16Cl2F3N5O and molecular weight 457.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(4-methylpiperazin-1-yl)methanone
Also Known As: ChemDiv1_003109, BIM-0034574.P001, AE-848/13196016, [3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl](4-methylpiperazin-1-yl)methanone, [3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(4-methylpiperazin-1-yl)methanone
| Molecular Formula | C19H16Cl2F3N5O |
|---|---|
| Molecular Weight | 457.07 g/mol |
| LogP | 4.1095 |
| Topological Polar Surface Area | 53.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 457.0684 |
| Heavy Atoms | 30 |
| Complexity | 1106.0408 |
Chemical Identifiers
| CAS Number | 313396-13-3 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)C2=NN3C(=CC(=NC3=C2Cl)C4=CC=C(C=C4)Cl)C(F)(F)F |
Product Overview
ChemDiv1_003109 (CAS 313396-13-3), with molecular formula C19H16Cl2F3N5O and molecular weight 457.07 g/mol. IUPAC: [3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(4-methylpiperazin-1-yl)methanone.
Chemical Property Profile of ChemDiv1_003109
Property Insights of ChemDiv1_003109
The XLogP value of 4.1095 indicates that ChemDiv1_003109 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.74 Ų, ChemDiv1_003109 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_003109 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 ChemDiv1_003109?
The CAS number of ChemDiv1_003109 is 313396-13-3.
What is the molecular formula of ChemDiv1_003109?
The molecular formula of ChemDiv1_003109 is C19H16Cl2F3N5O.
What is the molecular weight of ChemDiv1_003109?
The molecular weight of ChemDiv1_003109 is 457.07 g/mol.
Where can I buy ChemDiv1_003109?
You can request a quote for ChemDiv1_003109 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003109?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003109 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.