BAS 00435108
TL;DR: BAS 00435108 (CAS 313246-35-4) is a chemical compound with molecular formula C18H17F3N4OS and molecular weight 394.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
Also Known As: BAS 00435108, AB00092676-01, azepan-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone, azepan-1-yl(5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl)methanone, azepan-1-yl[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
| Molecular Formula | C18H17F3N4OS |
|---|---|
| Molecular Weight | 394.11 g/mol |
| LogP | 4.4928 |
| Topological Polar Surface Area | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 394.1075 |
| Heavy Atoms | 27 |
| Complexity | 957.05096 |
Chemical Identifiers
| CAS Number | 313246-35-4 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CS4)C(F)(F)F |
Product Overview
BAS 00435108 (CAS 313246-35-4), with molecular formula C18H17F3N4OS and molecular weight 394.11 g/mol. IUPAC: azepan-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone.
Chemical Property Profile of BAS 00435108
Property Insights of BAS 00435108
The XLogP value of 4.4928 indicates that BAS 00435108 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.5 Ų, BAS 00435108 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00435108 has 0 hydrogen bond donor(s) and 4 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 BAS 00435108?
The CAS number of BAS 00435108 is 313246-35-4.
What is the molecular formula of BAS 00435108?
The molecular formula of BAS 00435108 is C18H17F3N4OS.
What is the molecular weight of BAS 00435108?
The molecular weight of BAS 00435108 is 394.11 g/mol.
Where can I buy BAS 00435108?
You can request a quote for BAS 00435108 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00435108?
Yes, KEHONG BIO provides custom synthesis services for BAS 00435108 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.