ChemDiv1_004174
TL;DR: ChemDiv1_004174 (CAS 380645-52-3) is a chemical compound with molecular formula C27H27ClF3N5O4 and molecular weight 577.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[3-chloro-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]-phenylmethanone
Also Known As: ChemDiv1_004174, BIM-0003746.P001, AE-848/14138176, 1-BENZOYL-4-[3-CHLORO-5-(3,4-DIMETHOXYPHENYL)-7-(TRIFLUOROMETHYL)-4H,5H,6H,7H-PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBONYL]PIPERAZINE, 2-[(4-benzoylpiperazin-1-yl)carbonyl]-3-chloro-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
| Molecular Formula | C27H27ClF3N5O4 |
|---|---|
| Molecular Weight | 577.17 g/mol |
| LogP | 4.8122 |
| Topological Polar Surface Area | 88.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 577.17035 |
| Heavy Atoms | 40 |
| Complexity | 1407.1407 |
Chemical Identifiers
| CAS Number | 380645-52-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2CC(N3C(=C(C(=N3)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5)Cl)N2)C(F)(F)F)OC |
Product Overview
ChemDiv1_004174 (CAS 380645-52-3), with molecular formula C27H27ClF3N5O4 and molecular weight 577.17 g/mol. IUPAC: [4-[3-chloro-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]-phenylmethanone.
Chemical Property Profile of ChemDiv1_004174
Property Insights of ChemDiv1_004174
The XLogP value of 4.8122 indicates that ChemDiv1_004174 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.93 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004174. Following Lipinski's Rule of Five, ChemDiv1_004174 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_004174?
The CAS number of ChemDiv1_004174 is 380645-52-3.
What is the molecular formula of ChemDiv1_004174?
The molecular formula of ChemDiv1_004174 is C27H27ClF3N5O4.
What is the molecular weight of ChemDiv1_004174?
The molecular weight of ChemDiv1_004174 is 577.17 g/mol.
Where can I buy ChemDiv1_004174?
You can request a quote for ChemDiv1_004174 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004174?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004174 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.