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CAS 2376-00-3 2-Chloro-6-(trifluoromethyl)be molecular structure lightbox
CAS RN: 2376-00-3

2-Chloro-6-(trifluoromethyl)be

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250331 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-115525
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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: 5g, 25g
  • Available purity: ≥97%
  • 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 2376-00-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

2376-00-3 / 2-chloro-6-(trifluoromethyl)benzoic acid

Standard CAS: 2376-00-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2376-00-3
Multi CAS
No
Molecular Formula
C8H4ClF3O2
Molecular Weight
224.560000
Exact Mass
223.985192
SMILES
C1=CC(=C(C(=C1)Cl)C(=O)O)C(F)(F)F
InChI
InChI=1S/C8H4ClF3O2/c9-5-3-1-2-4(8(10,11)12)6(5)7(13)14/h1-3H,(H,13,14)
InChIKey
OHWGZCNPFKBCDJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.41
TPSA
37.3

LogP / Solubility

WLOGP
3.06
MLOGP
2.69
XLogP3
2.8
Consensus LogP
2.85
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
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)
-1.92

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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