CAS RN: 577784-91-9
RNA Polymerase III Inhibitor
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.20260618 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS577784-91-9
- Purity/Analytical Methods: >99.0%
577784-91-9 / 2-chloro-N-[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-methylpyrazol-5-yl]benzenesulfonamide
Basic Information
CAS
577784-91-9
Multi CAS
No
Molecular Formula
C19H15CL2N3O2S2
Molecular Weight
452.400000
Exact Mass
450.998275
InChI
InChI=1S/C19H15Cl2N3O2S2/c1-11-13-9-12(20)7-8-16(13)27-19(11)15-10-18(24(2)22-15)23-28(25,26)17-6-4-3-5-14(17)21/h3-10,23H,1-2H3
InChIKey
BVBDTTLISMIOJY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
20
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
116.03
TPSA
63.99
LogP / Solubility
WLOGP
5.72
MLOGP
5.06
XLogP3
5.4
Consensus LogP
5.39
Log S (ESOL)
-6.51
Class (ESOL)
Insoluble
Log S (Ali)
-7.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.83
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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