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CAS 1807518-64-4 Ald-Ph-PEG4-t-butyl ester molecular structure lightbox
CAS RN: 1807518-64-4

Ald-Ph-PEG4-t-butyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250517 1g Out of stock 15 business days Inquiry
  • Product code: SSC-081971
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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: ＞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 1807518-64-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

1807518-64-4 / tert-butyl 3-[2-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 1807518-64-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1807518-64-4
Multi CAS
No
Molecular Formula
C23H35NO8
Molecular Weight
453.500000
Exact Mass
453.236267
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCNC(=O)C1=CC=C(C=C1)C=O
InChI
InChI=1S/C23H35NO8/c1-23(2,3)32-21(26)8-10-28-12-14-30-16-17-31-15-13-29-11-9-24-22(27)20-6-4-19(18-25)5-7-20/h4-7,18H,8-17H2,1-3H3,(H,24,27)
InChIKey
LWNKMVXZTVDYHO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
17
H-bond acceptors
8
H-bond donors
1
Molar refractivity
117.9
TPSA
109.39

LogP / Solubility

WLOGP
2.03
MLOGP
1.81
XLogP3
0.9
Consensus LogP
1.58
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.33
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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