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CAS 214263-00-0 1-(4-FLUOROPHENYL)CYCLOHEXANECARBOXYLIC ACID, 98 molecular structure lightbox
CAS RN: 214263-00-0

1-(4-FLUOROPHENYL)CYCLOHEXANECARBOXYLIC ACID, 98

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250117 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260403 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20250405 1g In stock Shanghai Inquiry
Batchno.20250624 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250715 5g Out of stock Inquiry
  • Product code: SSC-102718
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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: ＞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 214263-00-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

214263-00-0 / 1-(4-fluorophenyl)cyclohexane-1-carboxylic acid

Standard CAS: 214263-00-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214263-00-0
Multi CAS
No
Molecular Formula
C13H15FO2
Molecular Weight
222.250000
Exact Mass
222.105608
SMILES
C1CCC(CC1)(C2=CC=C(C=C2)F)C(=O)O
InChI
InChI=1S/C13H15FO2/c14-11-6-4-10(5-7-11)13(12(15)16)8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H,15,16)
InChIKey
XQKPSVJXJIFYAU-UHFFFAOYSA-N

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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