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CAS 261762-93-0 6-CHLORO-2-FLUORO-3-METHYLPHENYLACETIC ACID molecular structure lightbox
CAS RN: 261762-93-0

6-CHLORO-2-FLUORO-3-METHYLPHENYLACETIC ACID

Product Availability

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251013 10mg In stock Inquiry
Batchno.20250526 1g Out of stock Inquiry
Batchno.20250706 250mg Out of stock Inquiry
Batchno.20260422 50mg Out of stock Inquiry
  • Product code: starshine_CAS261762-93-0
  • Purity/Analytical Methods: >99.0%
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261762-93-0 / 2-(6-chloro-2-fluoro-3-methylphenyl)acetic acid

Standard CAS: 261762-93-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
261762-93-0
Multi CAS
Yes
Molecular Formula
C9H8CLFO2
Molecular Weight
202.610000
Exact Mass
202.019685
InChI
InChI=1S/C9H8ClFO2/c1-5-2-3-7(10)6(9(5)11)4-8(12)13/h2-3H,4H2,1H3,(H,12,13)
InChIKey
WVPCYTGXJQYSCV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.49
TPSA
37.3

LogP / Solubility

WLOGP
2.41
MLOGP
2.13
XLogP3
2.5
Consensus LogP
2.35
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.22
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)
-2.24

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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