BAS 07123857
TL;DR: BAS 07123857 (CAS 643733-83-9) is a chemical compound with molecular formula C21H21F3N2O3 and molecular weight 406.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxo-1-(4-propan-2-yloxyphenyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
Also Known As: BAS 07123857, AO-081/42035355, 5-oxo-1-(4-propan-2-yloxyphenyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide, 1-(4-isopropoxyphenyl)-5-oxo-N-[2-(trifluoromethyl)phenyl]-3-pyrrolidinecarboxamide, 5-oxo-1-[4-(propan-2-yloxy)phenyl]-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
| Molecular Formula | C21H21F3N2O3 |
|---|---|
| Molecular Weight | 406.15 g/mol |
| LogP | 4.4842 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.15042 |
| Heavy Atoms | 29 |
| Complexity | 894.7895 |
Chemical Identifiers
| CAS Number | 643733-83-9 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC=C3C(F)(F)F |
Product Overview
BAS 07123857 (CAS 643733-83-9), with molecular formula C21H21F3N2O3 and molecular weight 406.15 g/mol. IUPAC: 5-oxo-1-(4-propan-2-yloxyphenyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
Chemical Property Profile of BAS 07123857
Property Insights of BAS 07123857
The XLogP value of 4.4842 indicates that BAS 07123857 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, BAS 07123857 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 07123857 has 1 hydrogen bond donor(s) and 3 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 07123857?
The CAS number of BAS 07123857 is 643733-83-9.
What is the molecular formula of BAS 07123857?
The molecular formula of BAS 07123857 is C21H21F3N2O3.
What is the molecular weight of BAS 07123857?
The molecular weight of BAS 07123857 is 406.15 g/mol.
Where can I buy BAS 07123857?
You can request a quote for BAS 07123857 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07123857?
Yes, KEHONG BIO provides custom synthesis services for BAS 07123857 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.