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CAS 71109-09-6 4-cyclohexyl-alpha-methylnaphthalene-1-acetic acid molecular structure lightbox
CAS RN: 71109-09-6

4-cyclohexyl-alpha-methylnaphthalene-1-acetic acid

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250117 100mg In stock Shanghai Inquiry
Batchno.20260309 10mg In stock Shanghai Inquiry
Batchno.20260527 250mg In stock Shanghai Inquiry
Batchno.20250830 25mg In stock Shanghai Inquiry
Batchno.20250309 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS71109-09-6
  • Purity/Analytical Methods: >99.0%
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71109-09-6 / 2-(4-cyclohexylnaphthalen-1-yl)propanoic acid

Standard CAS: 71109-09-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71109-09-6
Multi CAS
Yes
Molecular Formula
C19H22O2
Molecular Weight
282.400000
Exact Mass
282.161980
InChI
InChI=1S/C19H22O2/c1-13(19(20)21)15-11-12-16(14-7-3-2-4-8-14)18-10-6-5-9-17(15)18/h5-6,9-14H,2-4,7-8H2,1H3,(H,20,21)
InChIKey
VZUGVMQFWFVFBX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
10
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
85.82
TPSA
37.3

LogP / Solubility

WLOGP
5.08
MLOGP
4.48
XLogP3
5.7
Consensus LogP
5.09
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.07
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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