ChemDiv1_004085
TL;DR: ChemDiv1_004085 (CAS 332851-44-2) is a chemical compound with molecular formula C20H18BrF3N4O3 and molecular weight 498.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: ChemDiv1_004085, BAS 01840908, BIM-0011664.P001, 3-bromo-N-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-bromo-N-(2-furylmethyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C20H18BrF3N4O3 |
|---|---|
| Molecular Weight | 498.05 g/mol |
| LogP | 4.8375 |
| Topological Polar Surface Area | 81.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.05145 |
| Heavy Atoms | 31 |
| Complexity | 1064.7782 |
Chemical Identifiers
| CAS Number | 332851-44-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC(N3C(=C(C(=N3)C(=O)NCC4=CC=CO4)Br)N2)C(F)(F)F |
Product Overview
ChemDiv1_004085 (CAS 332851-44-2), with molecular formula C20H18BrF3N4O3 and molecular weight 498.05 g/mol. IUPAC: 3-bromo-N-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of ChemDiv1_004085
Property Insights of ChemDiv1_004085
The XLogP value of 4.8375 indicates that ChemDiv1_004085 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.32 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004085. Following Lipinski's Rule of Five, ChemDiv1_004085 has 2 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_004085?
The CAS number of ChemDiv1_004085 is 332851-44-2.
What is the molecular formula of ChemDiv1_004085?
The molecular formula of ChemDiv1_004085 is C20H18BrF3N4O3.
What is the molecular weight of ChemDiv1_004085?
The molecular weight of ChemDiv1_004085 is 498.05 g/mol.
Where can I buy ChemDiv1_004085?
You can request a quote for ChemDiv1_004085 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004085?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004085 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.