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CAS 106795-66-8 1-(2-FLUOROPHENYL)CYCLOHEXANECARBOXYLIC ACID, 98 molecular structure lightbox
CAS RN: 106795-66-8

1-(2-FLUOROPHENYL)CYCLOHEXANECARBOXYLIC ACID, 98

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250818 1g Out of stock Inquiry
  • Product code: SSC-008310
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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
  • 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 106795-66-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

106795-66-8 / 1-(2-fluorophenyl)cyclohexane-1-carboxylic acid

1-(2-fluorophenyl)cyclohexanecarboxylic acid | DTXSID80369804 | RefChem:223481

Standard CAS: 106795-66-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
106795-66-8
Multi CAS
Yes
Molecular Formula
C13H15FO2
Molecular Weight
222.250000
Exact Mass
222.105608
SMILES
C1CCC(CC1)(C2=CC=CC=C2F)C(=O)O
InChI
InChI=1S/C13H15FO2/c14-11-7-3-2-6-10(11)13(12(15)16)8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9H2,(H,15,16)
InChIKey
ODLLDVJLQPBPPC-UHFFFAOYSA-N
Synonyms
1-(2-fluorophenyl)cyclohexanecarboxylic acid DTXSID80369804 RefChem:223481 DTXCID90320840 1-(2-fluorophenyl)cyclohexane-1-carboxylic Acid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.8
TPSA
37.3

LogP / Solubility

WLOGP
3.11
MLOGP
2.74
XLogP3
3.5
Consensus LogP
3.12
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
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)
-1.87

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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