CAS RN: 2378261-83-5
K-Ras ligand-Linker Conjugate 4
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.20250120 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2378261-83-5
- Purity/Analytical Methods: >99.0%
2378261-83-5 / benzyl (2S)-2-(cyanomethyl)-4-[2-[[(2S,4R)-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate
Basic Information
CAS
2378261-83-5
Multi CAS
No
Molecular Formula
C35H51N7O8
Molecular Weight
697.800000
Exact Mass
697.379912
SMILES
CN1C[C@@H](C[C@H]1COC2=NC3=C(CCNC3)C(=N2)N4CCN([C@H](C4)CC#N)C(=O)OCC5=CC=CC=C5)OCCOCCOCCOCCO
InChI
InChI=1S/C35H51N7O8/c1-40-24-30(48-20-19-47-18-17-46-16-15-45-14-13-43)21-29(40)26-49-34-38-32-22-37-10-8-31(32)33(39-34)41-11-12-42(28(23-41)7-9-36)35(44)50-25-27-5-3-2-4-6-27/h2-6,28-30,37,43H,7-8,10-26H2,1H3/t28-,29-,30+/m0/s1
InChIKey
GUKYSZDGLMYSDL-OIFRRMEBSA-N
Computed Properties
Structural Parameters
Heavy atom count
50
Aromatic heavy atom count
12
Fraction Csp3
0.66
Rotatable bonds
19
H-bond acceptors
14
H-bond donors
2
Molar refractivity
182.82
TPSA
164
LogP / Solubility
WLOGP
1.37
MLOGP
1.27
XLogP3
0.4
Consensus LogP
1.01
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.62
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
No
Log Kp (skin permeation)
-6
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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![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)
