CAS RN: 2249944-99-6
PROTAC MDM2 Degrader-2
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.20260630 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2249944-99-6
- Purity/Analytical Methods: >99.0%
2249944-99-6 / 2-[4-[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]-2-oxopiperazin-1-yl]-N-[2-[2-[2-[[2-[4-[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]-2-oxopiperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethyl]acetamide
Basic Information
CAS
2249944-99-6
Multi CAS
No
Molecular Formula
C70H76Cl4N10O12
Molecular Weight
1391.200000
Exact Mass
1390.436879
SMILES
CC(C)OC1=C(C=CC(=C1)OC)C2=N[C@@H]([C@@H](N2C(=O)N3CCN(C(=O)C3)CC(=O)NCCOCCOCCNC(=O)CN4CCN(CC4=O)C(=O)N5[C@H]([C@H](N=C5C6=C(C=C(C=C6)OC)OC(C)C)C7=CC=C(C=C7)Cl)C8=CC=C(C=C8)Cl)C9=CC=C(C=C9)Cl)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C70H76Cl4N10O12/c1-43(2)95-57-37-53(91-5)23-25-55(57)67-77-63(45-7-15-49(71)16-8-45)65(47-11-19-51(73)20-12-47)83(67)69(89)81-31-29-79(61(87)41-81)39-59(85)75-27-33-93-35-36-94-34-28-76-60(86)40-80-30-32-82(42-62(80)88)70(90)84-66(48-13-21-52(74)22-14-48)64(46-9-17-50(72)18-10-46)78-68(84)56-26-24-54(92-6)38-58(56)96-44(3)4/h7-26,37-38,43-44,63-66H,27-36,39-42H2,1-6H3,(H,75,85)(H,76,86)/t63-,64-,65+,66+/m1/s1
InChIKey
WZLSSHVSGKCEKQ-AKOOKZATSA-N
Computed Properties
Structural Parameters
Heavy atom count
96
Aromatic heavy atom count
36
Fraction Csp3
0.37
Rotatable bonds
25
H-bond acceptors
14
H-bond donors
2
Molar refractivity
365.8
TPSA
226.02
LogP / Solubility
WLOGP
10.48
MLOGP
9.36
XLogP3
8.9
Consensus LogP
9.58
Log S (ESOL)
-13.69
Class (ESOL)
Insoluble
Log S (Ali)
-18.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-20.4
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)
-3.77
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
9.5
Customers Also Viewed
-
AR-C 141990 hydrochloride
- CAS RN: 2250019-94-2
- Product Code: starshine_CAS2250019-94-2
- Purity/Analytical method: >99.0%
-
N-(2-(2-(2-(4-(4-((5-Chloro-4-((2-(isopropylsulfonyl)phenyl)amino)pyrimidin-2-yl)amino)phenyl)piperazin-1-yl)ethoxy)ethoxy)ethyl)-2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)acetamide
- CAS RN: 2250025-88-6
- Product Code: starshine_CAS2250025-88-6
- Purity/Analytical method: >99.0%
-
8-Chloro-11-(4-methyl-4-oxido-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine dihydrochloride
- CAS RN: 2250025-93-3
- Product Code: starshine_CAS2250025-93-3
- Purity/Analytical method: >99.0%
-
-
-
![CAS 2250025-93-3 8-Chloro-11-(4-methyl-4-oxido-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2250025-93-3.gif)
