CAS RN: 596-55-4
α-Obscurin
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.20260531 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS596-55-4
- Purity/Analytical Methods: >99.0%
596-55-4 / (1R,9R,10R,16R)-14,16-dimethyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-5-one
Basic Information
CAS
596-55-4
Multi CAS
Yes
Molecular Formula
C17H26N2O
Molecular Weight
274.400000
Exact Mass
274.204513
InChI
InChI=1S/C17H26N2O/c1-11-8-12-9-15-14(5-6-16(20)18-15)17(10-11)13(12)4-3-7-19(17)2/h11-13H,3-10H2,1-2H3,(H,18,20)/t11-,12-,13-,17-/m1/s1
InChIKey
HXJHQEWSHQXRPH-HPTBWKMGSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.82
H-bond acceptors
2
H-bond donors
1
Molar refractivity
78.99
TPSA
32.34
LogP / Solubility
WLOGP
2.68
MLOGP
2.37
XLogP3
1.7
Consensus LogP
2.25
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
6
Customers Also Viewed
-
20,22-dihydroxycholesterol
- CAS RN: 596-94-1
- Product Code: starshine_CAS596-94-1
- Purity/Analytical method: >99.0%
-
-
-
-
-
