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CAS 2055024-64-9 Azido-PEG4-Val-Cit-PAB-OH molecular structure lightbox
CAS RN: 2055024-64-9

Azido-PEG4-Val-Cit-PAB-OH

Product Availability

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6 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20250701 100mg Out of stock Inquiry
Batchno.20250523 50mg Out of stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20250227 100mg In stock Inquiry
Batchno.20250203 10mg In stock Inquiry
Batchno.20250908 25mg In stock Inquiry
Batchno.20250902 50mg In stock Inquiry
  • Product code: SSC-096655
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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: 0.1g
  • 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 2055024-64-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞95% 0 Out of Stock Shenzhen Inquiry

2055024-64-9 / (2S)-2-[[(2S)-2-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]-5-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]pentanamide

Standard CAS: 2055024-64-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055024-64-9
Multi CAS
No
Molecular Formula
C29H48N8O9
Molecular Weight
652.700000
Exact Mass
652.354425
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO)NC(=O)CCOCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C29H48N8O9/c1-21(2)26(36-25(39)9-12-43-14-16-45-18-19-46-17-15-44-13-11-33-37-31)28(41)35-24(4-3-10-32-29(30)42)27(40)34-23-7-5-22(20-38)6-8-23/h5-8,21,24,26,38H,3-4,9-20H2,1-2H3,(H,34,40)(H,35,41)(H,36,39)(H3,30,32,42)/t24-,26-/m0/s1
InChIKey
AXRCLOURQJMPLC-AHWVRZQESA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
6
Fraction Csp3
0.66
Rotatable bonds
26
H-bond acceptors
10
H-bond donors
6
Molar refractivity
168.42
TPSA
248.33

LogP / Solubility

WLOGP
0.96
MLOGP
0.9
Consensus LogP
0.62
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-5.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.82
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.02

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

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