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CAS 4143-00-4 ETHYL 2,4-DIHYDROXYBENZOATE molecular structure lightbox
CAS RN: 4143-00-4

ETHYL 2,4-DIHYDROXYBENZOATE

  • Product code: SSC-149868
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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: 1g
  • 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 4143-00-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

4143-00-4 / ethyl 2,5-dihydroxybenzoate

Standard CAS: 4143-00-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4143-00-4
Multi CAS
Yes
Molecular Formula
C9H10O4
Molecular Weight
182.170000
Exact Mass
182.057909
InChI
InChI=1S/C9H10O4/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5,10-11H,2H2,1H3
InChIKey
GCUPAENRSCPHBM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
45.73
TPSA
66.76

LogP / Solubility

WLOGP
1.27
MLOGP
1.12
XLogP3
2.6
Consensus LogP
1.66
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.14
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)
-2.93

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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