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CAS 183108-31-8 Methyl 2-ethyl-3-hydroxybenzoate molecular structure lightbox
CAS RN: 183108-31-8

Methyl 2-ethyl-3-hydroxybenzoate

  • Product code: SSC-084710
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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: ＞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 183108-31-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

183108-31-8 / methyl 2-ethyl-3-hydroxybenzoate

Standard CAS: 183108-31-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
183108-31-8
Multi CAS
No
Molecular Formula
C10H12O3
Molecular Weight
180.200000
Exact Mass
180.078644
SMILES
CCC1=C(C=CC=C1O)C(=O)OC
InChI
InChI=1S/C10H12O3/c1-3-7-8(10(12)13-2)5-4-6-9(7)11/h4-6,11H,3H2,1-2H3
InChIKey
VHTOSWDSMXRKJC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.82
TPSA
46.53

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
2.2
Consensus LogP
1.82
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-2.58

Drug-likeness / Medicinal Chemistry

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

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