ChemDiv1_003021
TL;DR: ChemDiv1_003021 (CAS 313396-07-5) is a chemical compound with molecular formula C19H16ClF3N4O3 and molecular weight 440.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone
Also Known As: ChemDiv1_003021, BAS 01058587, BIM-0034546.P001, AB00098367-01, [3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone
| Molecular Formula | C19H16ClF3N4O3 |
|---|---|
| Molecular Weight | 440.09 g/mol |
| LogP | 3.5495 |
| Topological Polar Surface Area | 68.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 440.0863 |
| Heavy Atoms | 30 |
| Complexity | 1093.0831 |
Chemical Identifiers
| CAS Number | 313396-07-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)N4CCOCC4)Cl |
Product Overview
ChemDiv1_003021 (CAS 313396-07-5), with molecular formula C19H16ClF3N4O3 and molecular weight 440.09 g/mol. IUPAC: [3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone.
Chemical Property Profile of ChemDiv1_003021
Property Insights of ChemDiv1_003021
The XLogP value of 3.5495 indicates that ChemDiv1_003021 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 ChemDiv1_003021. Following Lipinski's Rule of Five, ChemDiv1_003021 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 ChemDiv1_003021?
The CAS number of ChemDiv1_003021 is 313396-07-5.
What is the molecular formula of ChemDiv1_003021?
The molecular formula of ChemDiv1_003021 is C19H16ClF3N4O3.
What is the molecular weight of ChemDiv1_003021?
The molecular weight of ChemDiv1_003021 is 440.09 g/mol.
Where can I buy ChemDiv1_003021?
You can request a quote for ChemDiv1_003021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003021?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.