CAS RN: 1631137-51-3
Protein degrader 1 (TFA)
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260107 | 10mg / 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1631137-51-3
- Purity/Analytical Methods: >99.0%
1631137-51-3 / (2S,4R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
Basic Information
CAS
1631137-51-3
Multi CAS
No
Molecular Formula
C24H31F3N4O5S
Molecular Weight
544.600000
Exact Mass
544.196726
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)N)O.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C22H30N4O3S.C2HF3O2/c1-13-18(30-12-25-13)15-7-5-14(6-8-15)10-24-20(28)17-9-16(27)11-26(17)21(29)19(23)22(2,3)4;3-2(4,5)1(6)7/h5-8,12,16-17,19,27H,9-11,23H2,1-4H3,(H,24,28);(H,6,7)/t16-,17+,19-;/m1./s1
InChIKey
SGNZARGJXDPTDJ-MSSRUXLCSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
4
Molar refractivity
131.38
TPSA
145.85
LogP / Solubility
WLOGP
2.7
MLOGP
2.42
XLogP3
2.7
Consensus LogP
2.61
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.04
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)
-4.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
Customers Also Viewed
-
Coretinphencone
- CAS RN: 1631711-77-7
- Product Code: starshine_CAS1631711-77-7
- Purity/Analytical method: >99.0%
-
(5S)-5,6-dihydro-5-(1-methylethyl)-2-(2,4,6-trimethylphenyl)-8H-1,2,4-Triazolo[3,4-c][1,4]oxazinium tetrafluoroborate
- CAS RN: 1631733-83-9
- Product Code: starshine_CAS1631733-83-9
- Purity/Analytical method: >99.0%
-
(1R)‐2,2‐difluorocyclopropane‐1‐carboxylic acid
- CAS RN: 1631747-25-5
- Product Code: SSC-070853
-
Carbetocin acetate
- CAS RN: 1631754-28-3
- Product Code: starshine_CAS1631754-28-3
- Purity/Analytical method: >99.0%
-
1-Fluoro-3-Methoxy-5-Methyl-2-nitrobenzene
- CAS RN: 1631962-79-2
- Product Code: starshine_CAS1631962-79-2
- Purity/Analytical method: >99.0%
-
1,4-diamine-2,5-divinylbenzene
- CAS RN: 1631999-89-7
- Product Code: starshine_CAS1631999-89-7
- Purity/Analytical method: >99.0%
![CAS 1631733-83-9 (5S)-5,6-dihydro-5-(1-methylethyl)-2-(2,4,6-trimethylphenyl)-8H-1,2,4-Triazolo[3,4-c][1,4]oxazinium tetrafluoroborate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1631733-83-9.gif)
