BAS 10846823
TL;DR: BAS 10846823 (CAS 876722-52-0) is a chemical compound with molecular formula C20H18F3N3O4 and molecular weight 421.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
Also Known As: BAS 10846823, 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]propanamide, 3-(3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)-N-(3-(trifluoromethyl)phenyl)propanamide
| Molecular Formula | C20H18F3N3O4 |
|---|---|
| Molecular Weight | 421.12 g/mol |
| LogP | 4.3439 |
| Topological Polar Surface Area | 86.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.12494 |
| Heavy Atoms | 30 |
| Complexity | 1034.1313 |
Chemical Identifiers
| CAS Number | 876722-52-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NOC(=N2)CCC(=O)NC3=CC=CC(=C3)C(F)(F)F)OC |
Product Overview
BAS 10846823 (CAS 876722-52-0), with molecular formula C20H18F3N3O4 and molecular weight 421.12 g/mol. IUPAC: 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]propanamide.
Chemical Property Profile of BAS 10846823
Property Insights of BAS 10846823
The XLogP value of 4.3439 indicates that BAS 10846823 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.48 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10846823. Following Lipinski's Rule of Five, BAS 10846823 has 1 hydrogen bond donor(s) and 6 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 10846823?
The CAS number of BAS 10846823 is 876722-52-0.
What is the molecular formula of BAS 10846823?
The molecular formula of BAS 10846823 is C20H18F3N3O4.
What is the molecular weight of BAS 10846823?
The molecular weight of BAS 10846823 is 421.12 g/mol.
Where can I buy BAS 10846823?
You can request a quote for BAS 10846823 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10846823?
Yes, KEHONG BIO provides custom synthesis services for BAS 10846823 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.