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CAS 2086689-08-7 Acid-PEG1-t-butyl ester molecular structure lightbox
CAS RN: 2086689-08-7

Acid-PEG1-t-butyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260226 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-098056
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2086689-08-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g >95% 1 In Stock Shenzhen Inquiry
10g >95% 0 Out of Stock Beijing Inquiry

2086689-08-7 / 3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]propanoic acid

Standard CAS: 2086689-08-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2086689-08-7
Multi CAS
No
Molecular Formula
C10H18O5
Molecular Weight
218.250000
Exact Mass
218.115424
SMILES
CC(C)(C)OC(=O)CCOCCC(=O)O
InChI
InChI=1S/C10H18O5/c1-10(2,3)15-9(13)5-7-14-6-4-8(11)12/h4-7H2,1-3H3,(H,11,12)
InChIKey
ZDYGOKORAHMWLC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.53
TPSA
72.83

LogP / Solubility

WLOGP
1.21
MLOGP
1.07
XLogP3
0.4
Consensus LogP
0.89
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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