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CAS 63734-62-3 3-(2-CHLORO-4-TRIFLUOROMETHYLPHENOXY)BENZOIC ACID molecular structure lightbox
CAS RN: 63734-62-3

3-(2-CHLORO-4-TRIFLUOROMETHYLPHENOXY)BENZOIC ACID

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250827 100mg In stock Shanghai Inquiry
Batchno.20260421 25mg In stock Shanghai, Shandong Inquiry
  • Product code: SSC-173490
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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 63734-62-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

63734-62-3 / 3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid

Standard CAS: 63734-62-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
63734-62-3
Multi CAS
Yes
Molecular Formula
C14H8CLF3O3
Molecular Weight
316.660000
Exact Mass
316.011406
InChI
InChI=1S/C14H8ClF3O3/c15-11-7-9(14(16,17)18)4-5-12(11)21-10-3-1-2-8(6-10)13(19)20/h1-7H,(H,19,20)
InChIKey
ONKRUAQFUNKYAX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
69.93
TPSA
46.53

LogP / Solubility

WLOGP
4.85
MLOGP
4.28
XLogP3
4.5
Consensus LogP
4.54
Log S (ESOL)
-5.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.1
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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