CAS RN: 2241668-45-9
Halo PROTAC 1
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251012 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS2241668-45-9
- Purity/Analytical Methods: >99.0%
2241668-45-9 / (2R)-2-acetamido-3-[[2-amino-9-[(4-chlorophenyl)methyl]-6-oxo-1H-purin-8-yl]sulfanyl]-N-[2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
Basic Information
CAS
2241668-45-9
Multi CAS
No
Molecular Formula
C33H49Cl2N7O8S
Molecular Weight
774.800000
Exact Mass
773.274038
SMILES
CC(=O)N[C@@H](CSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)N=C(NC2=O)N)C(=O)NCCOCCOCCOCCOCCOCCCCCCCl
InChI
InChI=1S/C33H49Cl2N7O8S/c1-24(43)38-27(23-51-33-39-28-29(40-32(36)41-31(28)45)42(33)22-25-6-8-26(35)9-7-25)30(44)37-11-13-47-15-17-49-19-21-50-20-18-48-16-14-46-12-5-3-2-4-10-34/h6-9,27H,2-5,10-23H2,1H3,(H,37,44)(H,38,43)(H3,36,40,41,45)/t27-/m0/s1
InChIKey
PMKLWFIBYSGVNP-MHZLTWQESA-N
Computed Properties
Structural Parameters
Heavy atom count
51
Aromatic heavy atom count
15
Fraction Csp3
0.61
Rotatable bonds
28
H-bond acceptors
13
H-bond donors
4
Molar refractivity
197.74
TPSA
193.94
LogP / Solubility
WLOGP
3
MLOGP
2.71
XLogP3
1.9
Consensus LogP
2.54
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.54
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)
-5.32
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
4.5
Customers Also Viewed
-
21-Chloro-3,6,9,12,15-pentaoxahenicosan-1-amine hydrochloride
- CAS RN: 2241669-16-7
- Product Code: SSC-109270
-
L-Cysteine, N-acetyl-S-[2-amino-9-[(4-fluorophenyl)methyl]-6,9-dihydro-6-oxo-1H-purin-8-yl]-
- CAS RN: 2241669-86-1
- Product Code: SSC-109271
-
DADPS Biotin Alykne
- CAS RN: 2241685-22-1
- Product Code: starshine_CAS2241685-22-1
- Purity/Analytical method: >99.0%
-
Quinazoline, 7-bromo-2,4-dichloro-8-fluoro-6-iodo-
- CAS RN: 2241720-34-1
- Product Code: SSC-109280
-
6-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
- CAS RN: 2241721-69-5
- Product Code: SSC-109284
-
2-amino-4-bromo-3-fluoro-5-iodobenzamide
- CAS RN: 2241721-73-1
- Product Code: starshine_CAS2241721-73-1
- Purity/Analytical method: >99.0%
![CAS 2241669-86-1 L-Cysteine, N-acetyl-S-[2-amino-9-[(4-fluorophenyl)methyl]-6,9-dihydro-6-oxo-1H-purin-8-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2241669-86-1.gif)
