CAS RN: 929016-98-8
Pracinostat Dihydrochloride
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.20260416 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS929016-98-8
- Purity/Analytical Methods: >99.0%
929016-98-8 / (E)-3-[2-butyl-1-[2-(diethylamino)ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide;hydrochloride
Basic Information
CAS
929016-98-8
Multi CAS
Yes
Molecular Formula
C20H31CLN4O2
Molecular Weight
394.900000
Exact Mass
394.213554
InChI
InChI=1S/C20H30N4O2.2ClH/c1-4-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(5-2)6-3;;/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25);2*1H/b12-10+;;
InChIKey
CHLPUMOYKYJFFH-PFNYCKIMSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
2
Molar refractivity
112.34
TPSA
70.39
LogP / Solubility
WLOGP
3.66
MLOGP
3.25
XLogP3
3.66
Consensus LogP
3.52
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.47
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.53
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
2.5
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