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CAS 1309460-29-4 Acid-PEG5-t-butyl ester molecular structure lightbox
CAS RN: 1309460-29-4

Acid-PEG5-t-butyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250201 1g Out of stock 15 business days Inquiry
  • Product code: SSC-037492
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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, 5g
  • 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 1309460-29-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1309460-29-4 / 3-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

Standard CAS: 1309460-29-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1309460-29-4
Multi CAS
No
Molecular Formula
C18H34O9
Molecular Weight
394.500000
Exact Mass
394.220283
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C18H34O9/c1-18(2,3)27-17(21)5-7-23-9-11-25-13-15-26-14-12-24-10-8-22-6-4-16(19)20/h4-15H2,1-3H3,(H,19,20)
InChIKey
ILIIUHKWCBCCNI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.89
Rotatable bonds
18
H-bond acceptors
8
H-bond donors
1
Molar refractivity
96.81
TPSA
109.75

LogP / Solubility

WLOGP
1.28
MLOGP
1.15
XLogP3
-0.2
Consensus LogP
0.74
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.44
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.22

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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