CAS RN: 2010159-57-4
E3 ligase Ligand-Linker Conjugates 7 Free Base
Product Availability
Choose a grade to view its available package options.
5 package records0 with current stock1 grade group
- Product code: SSC-094852
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
2010159-57-4 / (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Basic Information
CAS
2010159-57-4
Multi CAS
No
Molecular Formula
C32H49N5O8S
Molecular Weight
663.800000
Exact Mass
663.330185
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCOCCOCCN)O
InChI
InChI=1S/C32H49N5O8S/c1-22-28(46-21-35-22)24-7-5-23(6-8-24)18-34-30(40)26-17-25(38)19-37(26)31(41)29(32(2,3)4)36-27(39)20-45-16-15-44-14-13-43-12-11-42-10-9-33/h5-8,21,25-26,29,38H,9-20,33H2,1-4H3,(H,34,40)(H,36,39)/t25-,26+,29-/m1/s1
InChIKey
VSMWDQCRYIOFMX-UWPQIUOOSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
11
Fraction Csp3
0.62
Rotatable bonds
19
H-bond acceptors
11
H-bond donors
4
Molar refractivity
173.97
TPSA
174.57
LogP / Solubility
WLOGP
1.25
MLOGP
1.16
XLogP3
0.8
Consensus LogP
1.07
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.29
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
No
Log Kp (skin permeation)
-5.88
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
5.5
Customers Also Viewed
-
E3 ligase Ligand-Linker Conjugates 6 Free Base
- CAS RN: 2010159-60-9
- Product Code: SSC-094853
-
Garcimultiflorone J
- CAS RN: 2010216-41-6
- Product Code: starshine_CAS2010216-41-6
- Purity/Analytical method: >99.0%
-
4-{[(tert-butoxy)carbonyl]amino}-2-oxabicyclo[2.2.2]octane-1-carboxylic acid
- CAS RN: 2010218-26-3
- Product Code: SSC-094867
-
5-Methylpyrimidine-4,6-dicarboxylic acid
- CAS RN: 2010958-16-2
- Product Code: starshine_CAS2010958-16-2
- Purity/Analytical method: >99.0%
-
(R)-4-Isopropyl-2-(5-(trifluoromethyl)pyridin-2-yl)-4,5-dihydrooxazole
- CAS RN: 2010973-00-7
- Product Code: SSC-094881
-
2α-Acetoxy-14,15-cyclopimara-7β,16-diol
- CAS RN: 2011034-27-6
- Product Code: starshine_CAS2011034-27-6
- Purity/Analytical method: >99.0%
![CAS 2010218-26-3 4-{[(tert-butoxy)carbonyl]amino}-2-oxabicyclo[2.2.2]octane-1-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2010218-26-3.png)
