CAS RN: 2378261-85-7
K-Ras ligand-Linker Conjugate 5
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.20260210 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2378261-85-7
- Purity/Analytical Methods: >99.0%
2378261-85-7 / tert-butyl (2S)-2-(cyanomethyl)-4-[2-[[(2S,4R)-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate
Basic Information
CAS
2378261-85-7
Multi CAS
No
Molecular Formula
C42H59N7O8
Molecular Weight
790.000000
Exact Mass
789.442512
SMILES
CC(C)(C)OC(=O)N1CCN(C[C@@H]1CC#N)C2=NC(=NC3=C2CCN(C3)C4=CC=CC5=CC=CC=C54)OC[C@@H]6C[C@H](CN6C)OCCOCCOCCOCCO
InChI
InChI=1S/C42H59N7O8/c1-42(2,3)57-41(51)49-17-16-48(27-32(49)12-14-43)39-36-13-15-47(38-11-7-9-31-8-5-6-10-35(31)38)29-37(36)44-40(45-39)56-30-33-26-34(28-46(33)4)55-25-24-54-23-22-53-21-20-52-19-18-50/h5-11,32-34,50H,12-13,15-30H2,1-4H3/t32-,33-,34+/m0/s1
InChIKey
YWJHMWJHKMFQGA-DHWXLLNHSA-N
Computed Properties
Structural Parameters
Heavy atom count
57
Aromatic heavy atom count
16
Fraction Csp3
0.62
Rotatable bonds
18
H-bond acceptors
14
H-bond donors
1
Molar refractivity
215.72
TPSA
155.21
LogP / Solubility
WLOGP
4.04
MLOGP
3.63
XLogP3
3.3
Consensus LogP
3.66
Log S (ESOL)
-6.3
Class (ESOL)
Insoluble
Log S (Ali)
-8.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.31
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.67
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
7
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![CAS 2378614-29-8 Spiro[3H-indole-3,7′(6’H)-pyrrolo[1,2-a]pyrazine]-1′,2,4′(1H)-trione, 6′-(1,3-benzodioxol-5-yl)-2′,3′,8′,8’a-tetrahydro-2′-methyl-, (8’aR)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2378614-29-8.gif)
