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CAS 1611468-29-1 OtBu-PEG3-OtBu molecular structure lightbox
CAS RN: 1611468-29-1

OtBu-PEG3-OtBu

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250710 1g Out of stock 15 business days Inquiry
  • Product code: SSC-068871
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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: ＞97%
  • 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 1611468-29-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1611468-29-1 / tert-butyl 3-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]propanoate

Standard CAS: 1611468-29-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1611468-29-1
Multi CAS
No
Molecular Formula
C18H34O7
Molecular Weight
362.500000
Exact Mass
362.230453
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCC(=O)OC(C)(C)C
InChI
InChI=1S/C18H34O7/c1-17(2,3)24-15(19)7-9-21-11-13-23-14-12-22-10-8-16(20)25-18(4,5)6/h7-14H2,1-6H3
InChIKey
BIABJXAWGDLLJY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.89
Rotatable bonds
12
H-bond acceptors
7
Molar refractivity
93.38
TPSA
80.29

LogP / Solubility

WLOGP
2.5
MLOGP
2.22
XLogP3
1.4
Consensus LogP
2.04
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
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)
-3.16

Drug-likeness / Medicinal Chemistry

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

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