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CAS 72928-55-3 p-cyanophenyl trans-p-(4-pentylcyclohexyl)benzoate molecular structure lightbox
CAS RN: 72928-55-3

p-cyanophenyl trans-p-(4-pentylcyclohexyl)benzoate

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4 package records2 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251018 5g / 10g / 25g / 100g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260326 5g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260506 25g In stock Shanghai Inquiry
Batchno.20250825 5g Out of stock 8-10 business days Inquiry
  • Product code: LINP888221
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72928-55-3 / (4-cyanophenyl) 4-(4-pentylcyclohexyl)benzoate

Standard CAS: 72928-55-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72928-55-3
Multi CAS
Yes
Molecular Formula
C25H29NO2
Molecular Weight
375.500000
Exact Mass
375.219829
InChI
InChI=1S/C25H29NO2/c1-2-3-4-5-19-6-10-21(11-7-19)22-12-14-23(15-13-22)25(27)28-24-16-8-20(18-26)9-17-24/h8-9,12-17,19,21H,2-7,10-11H2,1H3
InChIKey
IPGHZWGLMSBNAV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
111.4
TPSA
50.09

LogP / Solubility

WLOGP
6.63
MLOGP
5.86
XLogP3
8
Consensus LogP
6.83
Log S (ESOL)
-6.2
Class (ESOL)
Insoluble
Log S (Ali)
-7.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.45
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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