CAS RN: 654080-03-2
SK-216
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251004 | 5mg / 10mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS654080-03-2
- Purity/Analytical Methods: >99.0%
654080-03-2 / disodium;2-[5-[6-(5-tert-butyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxypentyl]propanedioate
Basic Information
CAS
654080-03-2
Multi CAS
Yes
Molecular Formula
C29H29NNA2O6
Molecular Weight
533.500000
Exact Mass
533.179026
InChI
InChI=1S/C29H31NO6.2Na/c1-29(2,3)21-11-13-25-24(17-21)30-26(36-25)20-9-8-19-16-22(12-10-18(19)15-20)35-14-6-4-5-7-23(27(31)32)28(33)34;;/h8-13,15-17,23H,4-7,14H2,1-3H3,(H,31,32)(H,33,34);;/q;2*+1/p-2
InChIKey
YYTGMMYYLGKWIK-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
19
Fraction Csp3
0.34
Rotatable bonds
10
H-bond acceptors
7
Molar refractivity
133.12
TPSA
115.52
LogP / Solubility
WLOGP
-1.99
MLOGP
-1.71
XLogP3
-1.99
Consensus LogP
-1.9
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.39
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
4.5
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