AB00092787-01
TL;DR: AB00092787-01 (CAS 313387-40-5) is a chemical compound with molecular formula C18H14ClF3N6OS and molecular weight 454.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(3-imidazol-1-ylpropyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: AB00092787-01, 3-chloro-N-(3-imidazol-1-ylpropyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-chloro-N-[3-(1H-imidazol-1-yl)propyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, [3-chloro-5-(2-thienyl)-7-(trifluoromethyl)(8-hydropyrazolo[1,5-a]pyrimidin-2- yl)]-N-(3-imidazolylpropyl)carboxamide, 3-CHLORO-N-[3-(IMIDAZOL-1-YL)PROPYL]-5-(THIOPHEN-2-YL)-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXAMIDE
| Molecular Formula | C18H14ClF3N6OS |
|---|---|
| Molecular Weight | 454.06 g/mol |
| LogP | 4.1466 |
| Topological Polar Surface Area | 77.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.05905 |
| Heavy Atoms | 30 |
| Complexity | 1171.1888 |
Chemical Identifiers
| CAS Number | 313387-40-5 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)NCCCN4C=CN=C4)Cl |
Product Overview
AB00092787-01 (CAS 313387-40-5), with molecular formula C18H14ClF3N6OS and molecular weight 454.06 g/mol. IUPAC: 3-chloro-N-(3-imidazol-1-ylpropyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of AB00092787-01
Property Insights of AB00092787-01
The XLogP value of 4.1466 indicates that AB00092787-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.11 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00092787-01. Following Lipinski's Rule of Five, AB00092787-01 has 1 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 AB00092787-01?
The CAS number of AB00092787-01 is 313387-40-5.
What is the molecular formula of AB00092787-01?
The molecular formula of AB00092787-01 is C18H14ClF3N6OS.
What is the molecular weight of AB00092787-01?
The molecular weight of AB00092787-01 is 454.06 g/mol.
Where can I buy AB00092787-01?
You can request a quote for AB00092787-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00092787-01?
Yes, KEHONG BIO provides custom synthesis services for AB00092787-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.