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CAS 38692-69-2 Benzeneacetic acid, 3,5-dichloro-2-hydroxy- molecular structure lightbox
CAS RN: 38692-69-2

Benzeneacetic acid, 3,5-dichloro-2-hydroxy-

  • Product code: SSC-146308
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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 38692-69-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

38692-69-2 / 2-(3,5-dichloro-2-hydroxyphenyl)acetic acid

Standard CAS: 38692-69-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
38692-69-2
Multi CAS
No
Molecular Formula
C8H6CL2O3
Molecular Weight
221.030000
Exact Mass
219.969399
InChI
InChI=1S/C8H6Cl2O3/c9-5-1-4(2-7(11)12)8(13)6(10)3-5/h1,3,13H,2H2,(H,11,12)
InChIKey
NKNKBVVUEYMSAJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.47
TPSA
57.53

LogP / Solubility

WLOGP
2.33
MLOGP
2.05
XLogP3
2.1
Consensus LogP
2.16
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
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)
-2.42

Drug-likeness / Medicinal Chemistry

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

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