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CAS 145747-16-6 Acetic acid, 2-methoxy-, hexyl ester molecular structure lightbox
CAS RN: 145747-16-6

Acetic acid, 2-methoxy-, hexyl ester

  • Product code: SSC-056984
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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: ＞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 145747-16-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

145747-16-6 / hexyl 2-methoxyacetate

Standard CAS: 145747-16-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
145747-16-6
Multi CAS
No
Molecular Formula
C9H18O3
Molecular Weight
174.240000
Exact Mass
174.125594
SMILES
CCCCCCOC(=O)COC
InChI
InChI=1S/C9H18O3/c1-3-4-5-6-7-12-9(10)8-11-2/h3-8H2,1-2H3
InChIKey
QJGFFKKLJRHCMV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
46.98
TPSA
35.53

LogP / Solubility

WLOGP
1.76
MLOGP
1.54
XLogP3
2.3
Consensus LogP
1.87
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly 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)
-2.54

Drug-likeness / Medicinal Chemistry

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

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