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CAS 1173168-18-7 2-Methoxybutyl Acetate molecular structure lightbox
CAS RN: 1173168-18-7

2-Methoxybutyl Acetate

  • Product code: SSC-017181
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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 1173168-18-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

1173168-18-7 / 2-methoxybutyl acetate

2-Methoxybutyl Acetate | 1-Butanol, 2-methoxy-, 1-acetate | MFCD06797047

Standard CAS: 1173168-18-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1173168-18-7
Multi CAS
No
Molecular Formula
C7H14O3
Molecular Weight
146.180000
Exact Mass
146.094294
SMILES
CCC(COC(=O)C)OC
InChI
InChI=1S/C7H14O3/c1-4-7(9-3)5-10-6(2)8/h7H,4-5H2,1-3H3
InChIKey
ZWUWDFWEMWMTHX-UHFFFAOYSA-N
Synonyms
2-Methoxybutyl Acetate 1-Butanol, 2-methoxy-, 1-acetate MFCD06797047 2-methoxybutylacetate SCHEMBL139623

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
37.72
TPSA
35.53

LogP / Solubility

WLOGP
0.97
MLOGP
0.85
XLogP3
0.9
Consensus LogP
0.91
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
Class (SILICOS-IT)
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)
-2.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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