CAS RN: 1325147-19-0
5′-Cholesteryl-TEG PhosphoraMidite
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.20250224 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1325147-19-0
- Purity/Analytical Methods: >99.0%
1325147-19-0 / [(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] N-[3-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]propyl]carbamate
Basic Information
CAS
1325147-19-0
Multi CAS
No
Molecular Formula
C46H82N3O7P
Molecular Weight
820.100000
Exact Mass
819.589039
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)NCCCOCCOCCOCCOP(N(C(C)C)C(C)C)OCCC#N)C)C
InChI
InChI=1S/C46H82N3O7P/c1-34(2)13-10-14-37(7)41-17-18-42-40-16-15-38-33-39(19-21-45(38,8)43(40)20-22-46(41,42)9)56-44(50)48-24-12-25-51-27-28-52-29-30-53-31-32-55-57(54-26-11-23-47)49(35(3)4)36(5)6/h15,34-37,39-43H,10-14,16-22,24-33H2,1-9H3,(H,48,50)/t37-,39+,40+,41-,42+,43+,45+,46-,57?/m1/s1
InChIKey
XIXYNNLTICMGJD-CYNTUAGHSA-N
Computed Properties
Structural Parameters
Heavy atom count
57
Fraction Csp3
0.91
Rotatable bonds
26
H-bond acceptors
9
H-bond donors
1
Molar refractivity
229.56
TPSA
111.51
LogP / Solubility
WLOGP
10.86
MLOGP
9.63
XLogP3
10.2
Consensus LogP
10.23
Log S (ESOL)
-10.05
Class (ESOL)
Insoluble
Log S (Ali)
-14.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.12
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.02
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
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