BAS 12969676
TL;DR: BAS 12969676 (CAS 878428-46-7) is a chemical compound with molecular formula C19H17F3N2O4S and molecular weight 426.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-5,5-dioxo-3-[3-(trifluoromethyl)phenyl]-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
Also Known As: BAS 12969676, VU0509502-1, 1-(4-methoxyphenyl)-3-(3-(trifluoromethyl)phenyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one 5,5-dioxide, F3118-0076, 1-(4-methoxyphenyl)-5,5-dioxo-3-[3-(trifluoromethyl)phenyl]-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
| Molecular Formula | C19H17F3N2O4S |
|---|---|
| Molecular Weight | 426.09 g/mol |
| LogP | 3.3262 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.08612 |
| Heavy Atoms | 29 |
| Complexity | 1053.8691 |
Chemical Identifiers
| CAS Number | 878428-46-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C3CS(=O)(=O)CC3N(C2=O)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
BAS 12969676 (CAS 878428-46-7), with molecular formula C19H17F3N2O4S and molecular weight 426.09 g/mol. IUPAC: 1-(4-methoxyphenyl)-5,5-dioxo-3-[3-(trifluoromethyl)phenyl]-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one.
Chemical Property Profile of BAS 12969676
Property Insights of BAS 12969676
The XLogP value of 3.3262 indicates that BAS 12969676 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.92 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12969676. Following Lipinski's Rule of Five, BAS 12969676 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 12969676?
The CAS number of BAS 12969676 is 878428-46-7.
What is the molecular formula of BAS 12969676?
The molecular formula of BAS 12969676 is C19H17F3N2O4S.
What is the molecular weight of BAS 12969676?
The molecular weight of BAS 12969676 is 426.09 g/mol.
Where can I buy BAS 12969676?
You can request a quote for BAS 12969676 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12969676?
Yes, KEHONG BIO provides custom synthesis services for BAS 12969676 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.