CAS RN: 98791-67-4
R(+)-BAY K 8644
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260208 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS98791-67-4
- Purity/Analytical Methods: >99.0%
98791-67-4 / methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
Basic Information
CAS
98791-67-4
Multi CAS
Yes
Molecular Formula
C16F3H15N2O4
Molecular Weight
356.300000
Exact Mass
356.098391
InChI
InChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,20H,1-3H3/t13-/m1/s1
InChIKey
ZFLWDHHVRRZMEI-CYBMUJFWSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
81.73
TPSA
81.47
LogP / Solubility
WLOGP
3.35
MLOGP
2.96
XLogP3
3.4
Consensus LogP
3.24
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.11
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 98805-78-8 8-METHOXYPYRIMIDINO[5,4-B]INDOL-4(3H)-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB9764688.gif)
