ChemDiv1_001365
TL;DR: ChemDiv1_001365 (CAS 312634-44-9) is a chemical compound with molecular formula C16H12BrF3N4O2S and molecular weight 459.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone
Also Known As: ChemDiv1_001365, BIM-0027516.P001, AB00092624-01, [3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl](morpholin-4-yl)methanone, [3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone
| Molecular Formula | C16H12BrF3N4O2S |
|---|---|
| Molecular Weight | 459.98 g/mol |
| LogP | 3.7115 |
| Topological Polar Surface Area | 59.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 459.98163 |
| Heavy Atoms | 27 |
| Complexity | 997.4221 |
Chemical Identifiers
| CAS Number | 312634-44-9 |
|---|---|
| SMILES | C1COCCN1C(=O)C2=NN3C(=CC(=NC3=C2Br)C4=CC=CS4)C(F)(F)F |
Product Overview
ChemDiv1_001365 (CAS 312634-44-9), with molecular formula C16H12BrF3N4O2S and molecular weight 459.98 g/mol. IUPAC: [3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone.
Chemical Property Profile of ChemDiv1_001365
Property Insights of ChemDiv1_001365
The XLogP value of 3.7115 indicates that ChemDiv1_001365 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.73 Ų, ChemDiv1_001365 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_001365 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_001365?
The CAS number of ChemDiv1_001365 is 312634-44-9.
What is the molecular formula of ChemDiv1_001365?
The molecular formula of ChemDiv1_001365 is C16H12BrF3N4O2S.
What is the molecular weight of ChemDiv1_001365?
The molecular weight of ChemDiv1_001365 is 459.98 g/mol.
Where can I buy ChemDiv1_001365?
You can request a quote for ChemDiv1_001365 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001365?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001365 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.