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CAS 144261-13-2 1,3-Difluor-5-(trans-4-propylcyclohexyl)-benzol molecular structure lightbox
CAS RN: 144261-13-2

1,3-Difluor-5-(trans-4-propylcyclohexyl)-benzol

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251225 100g Out of stock Inquiry
Batchno.20251123 10g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250120 25g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260303 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: LIND888224
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144261-13-2 / 1,3-difluoro-5-(4-propylcyclohexyl)benzene

Standard CAS: 144261-13-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
144261-13-2
Multi CAS
No
Molecular Formula
C15H20F2
Molecular Weight
238.320000
Exact Mass
238.153307
SMILES
CCCC1CCC(CC1)C2=CC(=CC(=C2)F)F
InChI
InChI=1S/C15H20F2/c1-2-3-11-4-6-12(7-5-11)13-8-14(16)10-15(17)9-13/h8-12H,2-7H2,1H3
InChIKey
GHOUEKQRKXYGHJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
65.97
TPSA
0.0000

LogP / Solubility

WLOGP
5.04
MLOGP
4.44
XLogP3
6
Consensus LogP
5.16
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.75
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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