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CAS 2086298-71-5 (S,R,S)-AHPC-PEG6-Azide molecular structure lightbox
CAS RN: 2086298-71-5

(S,R,S)-AHPC-PEG6-Azide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250415 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-098042
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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 2086298-71-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Shenzhen Inquiry

2086298-71-5 / (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Standard CAS: 2086298-71-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2086298-71-5
Multi CAS
No
Molecular Formula
C36H55N7O10S
Molecular Weight
777.900000
Exact Mass
777.373112
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)COCCOCCOCCOCCOCCOCCN=[N+]=[N-])O
InChI
InChI=1S/C36H55N7O10S/c1-26-32(54-25-39-26)28-7-5-27(6-8-28)22-38-34(46)30-21-29(44)23-43(30)35(47)33(36(2,3)4)41-31(45)24-53-20-19-52-18-17-51-16-15-50-14-13-49-12-11-48-10-9-40-42-37/h5-8,25,29-30,33,44H,9-24H2,1-4H3,(H,38,46)(H,41,45)/t29-,30+,33-/m1/s1
InChIKey
AJSBEOXYBAZQFR-YLJHYDRVSA-N

Computed Properties

Structural Parameters

Heavy atom count
54
Aromatic heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
26
H-bond acceptors
13
H-bond donors
3
Molar refractivity
200.57
TPSA
215.77

LogP / Solubility

WLOGP
2.64
MLOGP
2.39
XLogP3
2.4
Consensus LogP
2.48
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.03
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)
-5.59

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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