ChemDiv1_002937
TL;DR: ChemDiv1_002937 (CAS 313396-85-9) is a chemical compound with molecular formula C23H27ClF3N5O3 and molecular weight 513.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[3-(diethylamino)propyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: ChemDiv1_002937, BAS 01059037, 3-chloro-N-[3-(diethylamino)propyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-chloro-N-(3-(diethylamino)propyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, N-[3-(diethylamino)propyl][5-(3,4-dimethoxyphenyl)-3-chloro-7-(trifluoromethyl )(8-hydropyrazolo[1,5-a]pyrimidin-2-yl)]carboxamide
| Molecular Formula | C23H27ClF3N5O3 |
|---|---|
| Molecular Weight | 513.18 g/mol |
| LogP | 4.5474 |
| Topological Polar Surface Area | 80.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 513.1755 |
| Heavy Atoms | 35 |
| Complexity | 1195.3391 |
Chemical Identifiers
| CAS Number | 313396-85-9 |
|---|---|
| SMILES | CCN(CC)CCCNC(=O)C1=NN2C(=CC(=NC2=C1Cl)C3=CC(=C(C=C3)OC)OC)C(F)(F)F |
Product Overview
ChemDiv1_002937 (CAS 313396-85-9), with molecular formula C23H27ClF3N5O3 and molecular weight 513.18 g/mol. IUPAC: 3-chloro-N-[3-(diethylamino)propyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of ChemDiv1_002937
Property Insights of ChemDiv1_002937
The XLogP value of 4.5474 indicates that ChemDiv1_002937 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.99 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002937. Following Lipinski's Rule of Five, ChemDiv1_002937 has 1 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 ChemDiv1_002937?
The CAS number of ChemDiv1_002937 is 313396-85-9.
What is the molecular formula of ChemDiv1_002937?
The molecular formula of ChemDiv1_002937 is C23H27ClF3N5O3.
What is the molecular weight of ChemDiv1_002937?
The molecular weight of ChemDiv1_002937 is 513.18 g/mol.
Where can I buy ChemDiv1_002937?
You can request a quote for ChemDiv1_002937 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002937?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002937 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.