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CAS 153750-10-8 2-Acetoxy-2-(4-chlorophenyl)acetic Acid molecular structure lightbox
CAS RN: 153750-10-8

2-Acetoxy-2-(4-chlorophenyl)acetic Acid

  • Product code: SSC-063142
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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: 0.1g, 0.25g, 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 153750-10-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

153750-10-8 / 2-acetyloxy-2-(4-chlorophenyl)acetic acid

Standard CAS: 153750-10-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
153750-10-8
Multi CAS
No
Molecular Formula
C10H9ClO4
Molecular Weight
228.630000
Exact Mass
228.018937
SMILES
CC(=O)OC(C1=CC=C(C=C1)Cl)C(=O)O
InChI
InChI=1S/C10H9ClO4/c1-6(12)15-9(10(13)14)7-2-4-8(11)5-3-7/h2-5,9H,1H3,(H,13,14)
InChIKey
MIZLPLOCVAAQMG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.59
TPSA
63.6

LogP / Solubility

WLOGP
2.03
MLOGP
1.79
XLogP3
2
Consensus LogP
1.94
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly 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)
-2.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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