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CAS 2172820-09-4 (S,R,S)-AHPC-PEG2-acid molecular structure lightbox
CAS RN: 2172820-09-4

(S,R,S)-AHPC-PEG2-acid

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250806 50mg / 100mg / 250mg / 1g Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260514 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251026 1g In stock Shanghai Inquiry
Batchno.20260507 250mg In stock Shanghai Inquiry
Batchno.20250627 50mg In stock Shanghai Inquiry
Batchno.20251106 5g In stock Shanghai Inquiry
  • Product code: SSC-104783
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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: 1g
  • Available purity: ≥97%
  • 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 2172820-09-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

2172820-09-4 / 3-[2-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]propanoic acid

Standard CAS: 2172820-09-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2172820-09-4
Multi CAS
No
Molecular Formula
C30H42N4O8S
Molecular Weight
618.700000
Exact Mass
618.272335
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)CCOCCOCCC(=O)O)O
InChI
InChI=1S/C30H42N4O8S/c1-19-26(43-18-32-19)21-7-5-20(6-8-21)16-31-28(39)23-15-22(35)17-34(23)29(40)27(30(2,3)4)33-24(36)9-11-41-13-14-42-12-10-25(37)38/h5-8,18,22-23,27,35H,9-17H2,1-4H3,(H,31,39)(H,33,36)(H,37,38)/t22-,23+,27-/m1/s1
InChIKey
SIVZLYPNCHCMRW-QSEAXJEQSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
11
Fraction Csp3
0.57
Rotatable bonds
15
H-bond acceptors
9
H-bond donors
4
Molar refractivity
160.15
TPSA
167.39

LogP / Solubility

WLOGP
2.13
MLOGP
1.92
XLogP3
1.4
Consensus LogP
1.82
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.25
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
No
Log Kp (skin permeation)
-4.99

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

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