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CAS 75332-44-4 3,4-DIETHOXYBENZOIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 75332-44-4

3,4-DIETHOXYBENZOIC ACID ETHYL ESTER

  • Product code: SSC-184793
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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 75332-44-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

75332-44-4 / ethyl 3,4-diethoxybenzoate

Standard CAS: 75332-44-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
75332-44-4
Multi CAS
Yes
Molecular Formula
C13H18O4
Molecular Weight
238.280000
Exact Mass
238.120509
InChI
InChI=1S/C13H18O4/c1-4-15-11-8-7-10(13(14)17-6-3)9-12(11)16-5-2/h7-9H,4-6H2,1-3H3
InChIKey
UWWIFSJMLYCVGX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
64.74
TPSA
44.76

LogP / Solubility

WLOGP
2.66
MLOGP
2.35
XLogP3
3.1
Consensus LogP
2.7
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
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)
-2.28

Drug-likeness / Medicinal Chemistry

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

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