CAS RN: 286936-40-1
OTX 008
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6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250822 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250322 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260603 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251229 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250811 | 5mg | In stock | Shanghai | Inquiry |
| Batchno.20250426 | 5mg / 10mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS286936-40-1
- Purity/Analytical Methods: >99.0%
286936-40-1 / N-[2-(dimethylamino)ethyl]-2-[[26,27,28-tris[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetamide
Basic Information
CAS
286936-40-1
Multi CAS
No
Molecular Formula
C52H72N8O8
Molecular Weight
937.200000
Exact Mass
936.547311
InChI
InChI=1S/C52H72N8O8/c1-57(2)25-21-53-45(61)33-65-49-37-13-9-14-38(49)30-40-16-11-18-42(51(40)67-35-47(63)55-23-27-59(5)6)32-44-20-12-19-43(52(44)68-36-48(64)56-24-28-60(7)8)31-41-17-10-15-39(29-37)50(41)66-34-46(62)54-22-26-58(3)4/h9-20H,21-36H2,1-8H3,(H,53,61)(H,54,62)(H,55,63)(H,56,64)
InChIKey
CQVAQQNDZCZBSU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
68
Aromatic heavy atom count
24
Fraction Csp3
0.46
Rotatable bonds
24
H-bond acceptors
12
H-bond donors
4
Molar refractivity
265.23
TPSA
166.28
LogP / Solubility
WLOGP
2.59
MLOGP
2.37
XLogP3
5.1
Consensus LogP
3.35
Log S (ESOL)
-5.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-9.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.78
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-6.6
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10
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