AB00092750-01
TL;DR: AB00092750-01 (CAS 312634-60-9) is a chemical compound with molecular formula C18H16BrF3N4OS and molecular weight 472.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-[3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
Also Known As: AB00092750-01, AN-329/36834046, azepan-1-yl-[3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone, 2-(1-azepanylcarbonyl)-3-bromo-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine, azaperhydroepinyl 3-bromo-5-(2-thienyl)-7-(trifluoromethyl)(8-hydropyrazolo[1, 5-a]pyrimidin-2-yl) ketone
| Molecular Formula | C18H16BrF3N4OS |
|---|---|
| Molecular Weight | 472.02 g/mol |
| LogP | 5.2553 |
| Topological Polar Surface Area | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 472.01804 |
| Heavy Atoms | 28 |
| Complexity | 1008.1747 |
Chemical Identifiers
| CAS Number | 312634-60-9 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C2=NN3C(=CC(=NC3=C2Br)C4=CC=CS4)C(F)(F)F |
Product Overview
AB00092750-01 (CAS 312634-60-9), with molecular formula C18H16BrF3N4OS and molecular weight 472.02 g/mol. IUPAC: azepan-1-yl-[3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone.
Chemical Property Profile of AB00092750-01
Property Insights of AB00092750-01
The XLogP value of 5.2553 indicates that AB00092750-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.5 Ų, AB00092750-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00092750-01 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00092750-01?
The CAS number of AB00092750-01 is 312634-60-9.
What is the molecular formula of AB00092750-01?
The molecular formula of AB00092750-01 is C18H16BrF3N4OS.
What is the molecular weight of AB00092750-01?
The molecular weight of AB00092750-01 is 472.02 g/mol.
Where can I buy AB00092750-01?
You can request a quote for AB00092750-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00092750-01?
Yes, KEHONG BIO provides custom synthesis services for AB00092750-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.