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CAS 500901-64-4 3-Ethoxy-5-methylbenzoic Acid molecular structure lightbox
CAS RN: 500901-64-4

3-Ethoxy-5-methylbenzoic Acid

  • Product code: SSC-156458
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 1g, 0.25g, 5g, 10g
  • Available purity: ≥97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 500901-64-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 5 In Stock Hong Kong Inquiry
1g ≥97% 5 In Stock Beijing Inquiry
0.25g ≥97% 2 In Stock Hong Kong Inquiry
5g ≥97% 2 In Stock Shanghai Inquiry
10g ≥97% 2 In Stock Shanghai Inquiry

500901-64-4 / 3-ethoxy-5-methylbenzoic acid

Standard CAS: 500901-64-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
500901-64-4
Multi CAS
No
Molecular Formula
C10H12O3
Molecular Weight
180.200000
Exact Mass
180.078644
InChI
InChI=1S/C10H12O3/c1-3-13-9-5-7(2)4-8(6-9)10(11)12/h4-6H,3H2,1-2H3,(H,11,12)
InChIKey
IGMIFUNQHWJLEB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.31
TPSA
46.53

LogP / Solubility

WLOGP
2.09
MLOGP
1.84
XLogP3
2.2
Consensus LogP
2.04
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
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)
-2.33

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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