BAS 07418425
TL;DR: BAS 07418425 (CAS 674805-72-2) is a chemical compound with molecular formula C18H12F3N3O4S and molecular weight 423.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(3,4-dimethoxyphenyl)-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
Also Known As: BAS 07418425, 11-(3,4-dimethoxyphenyl)-6-hydroxy-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one, 11-(3,4-dimethoxyphenyl)-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione, 11-(3,4-dimethoxyphenyl)-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0(2),?]trideca-1(9),2(7),10,12-tetraene-4,6-dione, 7-(3,4-dimethoxyphenyl)-4-hydroxy-9-(trifluoromethyl)hydropyrimidino[4',5'-4,5 ]thiopheno[2,3-b]pyridin-2-one
| Molecular Formula | C18H12F3N3O4S |
|---|---|
| Molecular Weight | 423.05 g/mol |
| LogP | 3.5291 |
| Topological Polar Surface Area | 97.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.05005 |
| Heavy Atoms | 29 |
| Complexity | 1371.2728 |
Chemical Identifiers
| CAS Number | 674805-72-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NC3=C(C(=C2)C(F)(F)F)C4=C(S3)C(=O)NC(=O)N4)OC |
Product Overview
BAS 07418425 (CAS 674805-72-2), with molecular formula C18H12F3N3O4S and molecular weight 423.05 g/mol. IUPAC: 11-(3,4-dimethoxyphenyl)-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione.
Chemical Property Profile of BAS 07418425
Property Insights of BAS 07418425
The XLogP value of 3.5291 indicates that BAS 07418425 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07418425. Following Lipinski's Rule of Five, BAS 07418425 has 2 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 07418425?
The CAS number of BAS 07418425 is 674805-72-2.
What is the molecular formula of BAS 07418425?
The molecular formula of BAS 07418425 is C18H12F3N3O4S.
What is the molecular weight of BAS 07418425?
The molecular weight of BAS 07418425 is 423.05 g/mol.
Where can I buy BAS 07418425?
You can request a quote for BAS 07418425 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07418425?
Yes, KEHONG BIO provides custom synthesis services for BAS 07418425 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.