CAS RN: 956154-63-5
TCS HDAC6 20b
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.20251126 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS956154-63-5
- Purity/Analytical Methods: >99.0%
956154-63-5 / S-[(6S)-7-(1-adamantylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptyl] 2-methylpropanethioate
Basic Information
CAS
956154-63-5
Multi CAS
Yes
Molecular Formula
C26H44N2O4S
Molecular Weight
480.700000
Exact Mass
480.302179
InChI
InChI=1S/C26H44N2O4S/c1-17(2)23(30)33-10-8-6-7-9-21(27-24(31)32-25(3,4)5)22(29)28-26-14-18-11-19(15-26)13-20(12-18)16-26/h17-21H,6-16H2,1-5H3,(H,27,31)(H,28,29)/t18?,19?,20?,21-,26?/m0/s1
InChIKey
DQZMLPMCOMRJOR-MOVGKWKRSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Fraction Csp3
0.88
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
2
Molar refractivity
132.97
TPSA
84.5
LogP / Solubility
WLOGP
5.44
MLOGP
4.82
XLogP3
5.9
Consensus LogP
5.39
Log S (ESOL)
-5.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.5
Class (SILICOS-IT)
Insoluble
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)
-1.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5
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