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CAS 439114-12-2 tert-Butyl 3-[2-(2-{2-[2-(2-tert-butoxycarbonylethoxy)ethoxy]ethoxy}ethoxy) -ethoxy]propionate molecular structure lightbox
CAS RN: 439114-12-2

tert-Butyl 3-[2-(2-{2-[2-(2-tert-butoxycarbonylethoxy)ethoxy]ethoxy}ethoxy) -ethoxy]propionate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250627 100mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-151980
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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 439114-12-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

439114-12-2 / tert-butyl 3-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 439114-12-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
439114-12-2
Multi CAS
Yes
Molecular Formula
C22H42O9
Molecular Weight
450.600000
Exact Mass
450.282883
InChI
InChI=1S/C22H42O9/c1-21(2,3)30-19(23)7-9-25-11-13-27-15-17-29-18-16-28-14-12-26-10-8-20(24)31-22(4,5)6/h7-18H2,1-6H3
InChIKey
RYJCLSVRARTBFI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.91
Rotatable bonds
18
H-bond acceptors
9
Molar refractivity
115.02
TPSA
98.75

LogP / Solubility

WLOGP
2.53
MLOGP
2.26
XLogP3
1.1
Consensus LogP
1.96
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.85
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.67

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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