CAS RN: 1220890-25-4
C12-200
Product Availability
Choose a grade to view its available package options.
10 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250327 | 100mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20260604 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250618 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250207 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250629 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250224 | 50mg | In stock | Shanghai, Wuhan | Inquiry |
- Product code: starshine_CAS1220890-25-4
- Purity/Analytical Methods: >99.0%
1220890-25-4 / 1-[2-[bis(2-hydroxydodecyl)amino]ethyl-[2-[4-[2-[bis(2-hydroxydodecyl)amino]ethyl]piperazin-1-yl]ethyl]amino]dodecan-2-ol
Basic Information
CAS
1220890-25-4
Multi CAS
No
Molecular Formula
C70H145N5O5
Molecular Weight
1136.900000
Exact Mass
1136.124573
SMILES
CCCCCCCCCCC(CN(CCN1CCN(CC1)CCN(CC(CCCCCCCCCC)O)CC(CCCCCCCCCC)O)CCN(CC(CCCCCCCCCC)O)CC(CCCCCCCCCC)O)O
InChI
InChI=1S/C70H145N5O5/c1-6-11-16-21-26-31-36-41-46-66(76)61-73(58-60-75(64-69(79)49-44-39-34-29-24-19-14-9-4)65-70(80)50-45-40-35-30-25-20-15-10-5)57-55-71-51-53-72(54-52-71)56-59-74(62-67(77)47-42-37-32-27-22-17-12-7-2)63-68(78)48-43-38-33-28-23-18-13-8-3/h66-70,76-80H,6-65H2,1-5H3
InChIKey
RVHYPUORVDKRTM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
80
Fraction Csp3
1
Rotatable bonds
64
H-bond acceptors
10
H-bond donors
5
Molar refractivity
348.37
TPSA
117.35
LogP / Solubility
WLOGP
15.97
MLOGP
14.16
XLogP3
22.3
Consensus LogP
17.48
Log S (ESOL)
-12.73
Class (ESOL)
Insoluble
Log S (Ali)
-20.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-27.98
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.68
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
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