CAS RN: 2097973-72-1
E3 ligase Ligand-Linker Conjugates 6
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260602 | 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250307 | 100mg | In stock | Shanghai, Chengdu | Inquiry | |
| Batchno.20260628 | 1g | In stock | Shanghai, Tianjin, Chengdu | Inquiry | |
| Batchno.20251118 | 250mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20251113 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260302 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS2097973-72-1
- Purity/Analytical Methods: >99.0%
2097973-72-1 / (2S,4R)-1-[(2S)-2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
Basic Information
CAS
2097973-72-1
Multi CAS
No
Molecular Formula
C28H42ClN5O6S
Molecular Weight
612.200000
Exact Mass
611.254433
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)COCCOCCN)O.Cl
InChI
InChI=1S/C28H41N5O6S.ClH/c1-18-24(40-17-31-18)20-7-5-19(6-8-20)14-30-26(36)22-13-21(34)15-33(22)27(37)25(28(2,3)4)32-23(35)16-39-12-11-38-10-9-29;/h5-8,17,21-22,25,34H,9-16,29H2,1-4H3,(H,30,36)(H,32,35);1H/t21-,22+,25-;/m1./s1
InChIKey
SYAOHFUUVWFWJH-ZBXLSASTSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
11
Fraction Csp3
0.57
Rotatable bonds
13
H-bond acceptors
9
H-bond donors
4
Molar refractivity
159.58
TPSA
156.11
LogP / Solubility
WLOGP
1.64
MLOGP
1.49
XLogP3
1.64
Consensus LogP
1.59
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.56
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)
-5.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
Customers Also Viewed
-
![CAS 2097974-60-0 2-methyl-2,7-diazaspiro[4.4]nonan-3-one hydrochloride molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2-methyl-2,7-diazaspiro[4.4]nonan-3-one hydrochloride
- CAS RN: 2097974-60-0
- Product Code: starshine_CAS2097974-60-0
- Purity/Analytical method: >99.0%
-
3,9-bis(2-methylene-((3-(1,1-dicyanomethylene)-6,7-difluoro)-indanone))-5,5,11,11-tetrakis(4-hexylphenyl)-dithieno[2,3-d:2′,3′-d’]-s-indaceno[1,2-b:5,6-b’]dithiophene
- CAS RN: 2097998-59-7
- Product Code: starshine_CAS2097998-59-7
- Purity/Analytical method: >99.0%
-
1,1-difluoro-6-azaspiro[2.6]nonane hydrochloride
- CAS RN: 2098002-16-3
- Product Code: SSC-099646
-
methyl 3-{[(tert-butoxy)carbonyl]amino}azetidine-3-carboxylate hydrochloride
- CAS RN: 2098047-42-6
- Product Code: SSC-099665
-
1-(pyrimidin-2-yl)pyrrolidin-3-amine dihydrochloride
- CAS RN: 2098048-53-2
- Product Code: SSC-099666
-
Bicyclo[4.1.0]heptane-1-ethanamine, 7,7-difluoro-
- CAS RN: 2098065-08-6
- Product Code: starshine_CAS2098065-08-6
- Purity/Analytical method: >99.0%
![CAS 2097974-60-0 2-methyl-2,7-diazaspiro[4.4]nonan-3-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2097974-60-0.png)
![CAS 2097998-59-7 3,9-bis(2-methylene-((3-(1,1-dicyanomethylene)-6,7-difluoro)-indanone))-5,5,11,11-tetrakis(4-hexylphenyl)-dithieno[2,3-d:2′,3′-d’]-s-indaceno[1,2-b:5,6-b’]dithiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2097998-59-7.png)
![CAS 2098002-16-3 1,1-difluoro-6-azaspiro[2.6]nonane hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2098002-16-3.png)
![CAS 2098047-42-6 methyl 3-{[(tert-butoxy)carbonyl]amino}azetidine-3-carboxylate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2098047-42-6.png)
![CAS 2098065-08-6 Bicyclo[4.1.0]heptane-1-ethanamine, 7,7-difluoro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2098065-08-6.png)