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CAS 25140-95-8 2-(3-METHYLPHENOXY)PROPANOIC ACID molecular structure lightbox
CAS RN: 25140-95-8

2-(3-METHYLPHENOXY)PROPANOIC ACID

  • Product code: SSC-120743
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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 25140-95-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

25140-95-8 / 2-(3-methylphenoxy)propanoic acid

Standard CAS: 25140-95-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25140-95-8
Multi CAS
No
Molecular Formula
C10H12O3
Molecular Weight
180.200000
Exact Mass
180.078644
SMILES
CC1=CC(=CC=C1)OC(C)C(=O)O
InChI
InChI=1S/C10H12O3/c1-7-4-3-5-9(6-7)13-8(2)10(11)12/h3-6,8H,1-2H3,(H,11,12)
InChIKey
NVECNFGARHPBLU-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
48.9
TPSA
46.53

LogP / Solubility

WLOGP
1.85
MLOGP
1.62
XLogP3
2.3
Consensus LogP
1.92
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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)
-2.51

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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