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CAS 49708-81-8 4-(4-Chlorophenyl)cyclohexanecarboxylic acid molecular structure lightbox
CAS RN: 49708-81-8

4-(4-Chlorophenyl)cyclohexanecarboxylic acid

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250320 100g In stock Shanghai Inquiry
Batchno.20260509 25g In stock Shanghai, Shandong Inquiry
Batchno.20250907 500g Out of stock 5-7 business days Inquiry
  • Product code: SSC-155979
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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: 100g
  • 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 49708-81-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shenzhen Inquiry

49708-81-8 / 4-(4-chlorophenyl)cyclohexane-1-carboxylic acid

Standard CAS: 49708-81-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
49708-81-8
Multi CAS
No
Molecular Formula
C13H15CLO2
Molecular Weight
238.710000
Exact Mass
238.076057
InChI
InChI=1S/C13H15ClO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h5-9,11H,1-4H2,(H,15,16)
InChIKey
NXXDIEYTMQYWJU-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
63.79
TPSA
37.3

LogP / Solubility

WLOGP
3.7
MLOGP
3.26
XLogP3
3.7
Consensus LogP
3.55
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
Class (SILICOS-IT)
Slightly 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)
-1.55

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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