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CAS 2245697-83-8 Protac linker 5 molecular structure lightbox
CAS RN: 2245697-83-8

Protac linker 5

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251029 100mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250112 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260215 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250628 50mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260517 5g Out of stock Inquiry
  • Product code: SSC-109677
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2245697-83-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

2245697-83-8 / (2S,4R)-1-[(2S)-2-(5-aminopentanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

Standard CAS: 2245697-83-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2245697-83-8
Multi CAS
No
Molecular Formula
C27H40ClN5O4S
Molecular Weight
566.200000
Exact Mass
565.248954
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)CCCCN)O.Cl
InChI
InChI=1S/C27H39N5O4S.ClH/c1-17-23(37-16-30-17)19-10-8-18(9-11-19)14-29-25(35)21-13-20(33)15-32(21)26(36)24(27(2,3)4)31-22(34)7-5-6-12-28;/h8-11,16,20-21,24,33H,5-7,12-15,28H2,1-4H3,(H,29,35)(H,31,34);1H/t20-,21+,24-;/m1./s1
InChIKey
HJICCZROGLAHNB-BIBCNAKVSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
11
Fraction Csp3
0.56
Rotatable bonds
10
H-bond acceptors
7
H-bond donors
4
Molar refractivity
151.8
TPSA
137.65

LogP / Solubility

WLOGP
2.78
MLOGP
2.49
XLogP3
2.78
Consensus LogP
2.68
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.85
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)
-4.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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