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CAS 1290540-34-9 Nonanedioic acid mono-tert-butyl ester molecular structure lightbox
CAS RN: 1290540-34-9

Nonanedioic acid mono-tert-butyl ester

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250625 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250927 1g In stock Shanghai, Tianjin Inquiry
Batchno.20251017 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20251229 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250907 25g In stock Shanghai, Chengdu Inquiry
Batchno.20251120 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-036248
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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: 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 1290540-34-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1290540-34-9 / 9-[(2-methylpropan-2-yl)oxy]-9-oxononanoic acid

Standard CAS: 1290540-34-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1290540-34-9
Multi CAS
No
Molecular Formula
C13H24O4
Molecular Weight
244.330000
Exact Mass
244.167459
SMILES
CC(C)(C)OC(=O)CCCCCCCC(=O)O
InChI
InChI=1S/C13H24O4/c1-13(2,3)17-12(16)10-8-6-4-5-7-9-11(14)15/h4-10H2,1-3H3,(H,14,15)
InChIKey
YREOXBTXUJZJEC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.85
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.8
TPSA
63.6

LogP / Solubility

WLOGP
3.14
MLOGP
2.77
XLogP3
2.9
Consensus LogP
2.94
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.82
Class (SILICOS-IT)
Slightly 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)
-1.98

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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