CAS RN: 923032-38-6
BAY 869766
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.20260327 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS923032-38-6
- Purity/Analytical Methods: >99.0%
923032-38-6 / N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide
Basic Information
CAS
923032-38-6
Multi CAS
Yes
Molecular Formula
C19F3H20In2O5S
Molecular Weight
572.300000
Exact Mass
572.008970
InChI
InChI=1S/C19H20F3IN2O5S/c1-30-15-7-13(21)16(22)18(24-14-3-2-10(23)6-12(14)20)17(15)25-31(28,29)19(4-5-19)8-11(27)9-26/h2-3,6-7,11,24-27H,4-5,8-9H2,1H3/t11-/m1/s1
InChIKey
RDSACQWTXKSHJT-LLVKDONJSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
4
Molar refractivity
117.53
TPSA
107.89
LogP / Solubility
WLOGP
3.48
MLOGP
3.11
XLogP3
2.8
Consensus LogP
3.13
Log S (ESOL)
-5.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.35
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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