CAS RN: 2378801-85-3
PROTAC Bcl2 degrader-1
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: starshine_CAS2378801-85-3
- Purity/Analytical Methods: >99.0%
2378801-85-3 / N-[2-[6-(4-bromophenyl)sulfanyl-1,3-dioxobenzo[de]isoquinolin-2-yl]ethyl]-N'-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]hexanediamide
Basic Information
CAS
2378801-85-3
Multi CAS
No
Molecular Formula
C45H45BrN6O10S
Molecular Weight
941.800000
Exact Mass
940.210130
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCOCCNC(=O)CCCCC(=O)NCCN4C(=O)C5=C6C(=C(C=C5)SC7=CC=C(C=C7)Br)C=CC=C6C4=O
InChI
InChI=1S/C45H45BrN6O10S/c46-27-11-13-28(14-12-27)63-35-17-15-32-39-29(35)5-3-6-30(39)42(57)51(43(32)58)22-19-48-36(53)9-1-2-10-37(54)49-21-24-62-26-25-61-23-20-47-33-8-4-7-31-40(33)45(60)52(44(31)59)34-16-18-38(55)50-41(34)56/h3-8,11-15,17,34,47H,1-2,9-10,16,18-26H2,(H,48,53)(H,49,54)(H,50,55,56)
InChIKey
IUSLKFLLLNNOGR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
63
Aromatic heavy atom count
22
Fraction Csp3
0.33
Rotatable bonds
21
H-bond acceptors
12
H-bond donors
4
Molar refractivity
235.31
TPSA
209.62
LogP / Solubility
WLOGP
4.69
MLOGP
4.22
XLogP3
4.3
Consensus LogP
4.4
Log S (ESOL)
-7.51
Class (ESOL)
Insoluble
Log S (Ali)
-10.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.19
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-5.14
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
Customers Also Viewed
-
Arg-Gly-Asp(TFA salt)
- CAS RN: 2378808-45-6
- Product Code: starshine_CAS2378808-45-6
- Purity/Analytical method: >99.0%
-
Stephalonine L
- CAS RN: 2379277-60-6
- Product Code: starshine_CAS2379277-60-6
- Purity/Analytical method: >99.0%
-
1.3.6.8-tetrabromopyrene-4,5,9,10-tetraketone
- CAS RN: 2379290-24-9
- Product Code: starshine_CAS2379290-24-9
- Purity/Analytical method: >99.0%
-
(S)-2-(1-Aminoethyl)-4-fluorophenol hydrochloride
- CAS RN: 2379311-62-1
- Product Code: starshine_CAS2379311-62-1
- Purity/Analytical method: >99.0%
-
Compound Y-1
- CAS RN: 2379438-80-7
- Product Code: starshine_CAS2379438-80-7
- Purity/Analytical method: >99.0%
-
INDEX NAME NOT YET ASSIGNED
- CAS RN: 2379454-98-3
- Product Code: starshine_CAS2379454-98-3
- Purity/Analytical method: >99.0%
