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CAS 1426164-53-5 Bis-Mal-Lysine-PEG4-TFP ester molecular structure lightbox
CAS RN: 1426164-53-5

Bis-Mal-Lysine-PEG4-TFP ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250208 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-053408
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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 1426164-53-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Shenzhen Inquiry

1426164-53-5 / (2,3,5,6-tetrafluorophenyl) 3-[2-[2-[2-[2-[[(2S)-2,6-bis[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 1426164-53-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1426164-53-5
Multi CAS
No
Molecular Formula
C37H45F4N5O13
Molecular Weight
843.800000
Exact Mass
843.294999
SMILES
C1=CC(=O)N(C1=O)CCC(=O)NCCCC[C@@H](C(=O)NCCOCCOCCOCCOCCC(=O)OC2=C(C(=CC(=C2F)F)F)F)NC(=O)CCN3C(=O)C=CC3=O
InChI
InChI=1S/C37H45F4N5O13/c38-24-23-25(39)35(41)36(34(24)40)59-33(53)10-15-55-17-19-57-21-22-58-20-18-56-16-12-43-37(54)26(44-28(48)9-14-46-31(51)6-7-32(46)52)3-1-2-11-42-27(47)8-13-45-29(49)4-5-30(45)50/h4-7,23,26H,1-3,8-22H2,(H,42,47)(H,43,54)(H,44,48)/t26-/m0/s1
InChIKey
QODWSCJQLAMMBN-SANMLTNESA-N

Computed Properties

Structural Parameters

Heavy atom count
59
Aromatic heavy atom count
6
Fraction Csp3
0.51
Rotatable bonds
29
H-bond acceptors
13
H-bond donors
3
Molar refractivity
192.56
TPSA
225.28

LogP / Solubility

WLOGP
0.12
MLOGP
0.19
XLogP3
-1.1
Consensus LogP
-0.26
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.73
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)
-7.78

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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