CAS RN: 155401-41-5
1-oleoyl-2-cholesterylheMisuccinoyl-sn-glycero-3-phosphocholine
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251022 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS155401-41-5
- Purity/Analytical Methods: >99.0%
155401-41-5 / 2-[[(2R)-2-[4-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Basic Information
CAS
155401-41-5
Multi CAS
No
Molecular Formula
C57H101NO10P+
Molecular Weight
991.400000
Exact Mass
990.716310
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
InChI
InChI=1S/C57H100NO10P/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-53(59)64-42-48(43-66-69(62,63)65-40-39-58(7,8)9)68-55(61)34-33-54(60)67-47-35-37-56(5)46(41-47)29-30-49-51-32-31-50(45(4)27-25-26-44(2)3)57(51,6)38-36-52(49)56/h17-18,29,44-45,47-52H,10-16,19-28,30-43H2,1-9H3/p+1/b18-17-/t45-,47+,48-,49+,50-,51+,52+,56+,57-/m1/s1
InChIKey
YYWBZBZOTINVNZ-GRGPAQQGSA-O
Computed Properties
Structural Parameters
Heavy atom count
69
Fraction Csp3
0.88
Rotatable bonds
34
H-bond acceptors
9
H-bond donors
1
Molar refractivity
277.08
TPSA
134.66
LogP / Solubility
WLOGP
14.05
MLOGP
12.46
XLogP3
15.1
Consensus LogP
13.87
Log S (ESOL)
-12.6
Class (ESOL)
Insoluble
Log S (Ali)
-17.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-21.85
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
1.21
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
9.5
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