![CAS 2443789-32-8 Benzoic acid, 3-[[(1-acetyl-5-methoxy-1H-indol-3-yl)carbonyl]amino]-4-fluoro-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2443789-32-8.gif)
CAS RN: 2443789-32-8
Benzoic acid, 3-[[(1-acetyl-5-methoxy-1H-indol-3-yl)carbonyl]amino]-4-fluoro-, 1,1-dimethylethyl ester
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260219 | 5mg / 10mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2443789-32-8
- Purity/Analytical Methods: >99.0%
2443789-32-8 / tert-butyl 3-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]-4-fluorobenzoate
Basic Information
CAS
2443789-32-8
Multi CAS
No
Molecular Formula
C23H23FN2O5
Molecular Weight
426.400000
Exact Mass
426.159100
SMILES
CC(=O)N1C=C(C2=C1C=CC(=C2)OC)C(=O)NC3=C(C=CC(=C3)C(=O)OC(C)(C)C)F
InChI
InChI=1S/C23H23FN2O5/c1-13(27)26-12-17(16-11-15(30-5)7-9-20(16)26)21(28)25-19-10-14(6-8-18(19)24)22(29)31-23(2,3)4/h6-12H,1-5H3,(H,25,28)
InChIKey
BNTANBUTBDVIHY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
15
Fraction Csp3
0.26
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
114.31
TPSA
86.63
LogP / Solubility
WLOGP
4.66
MLOGP
4.13
XLogP3
3.6
Consensus LogP
4.13
Log S (ESOL)
-5.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.78
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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