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CAS 174350-06-2 3-HHB(2F,3F)-1 molecular structure lightbox
CAS RN: 174350-06-2

3-HHB(2F,3F)-1

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260329 100g In stock Shenzhen, Tianjin Inquiry
Batchno.20260105 25g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251020 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251009 5g / 25g / 100g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS174350-06-2
  • Purity/Analytical Methods: >99.0%
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174350-06-2 / 2,3-difluoro-1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene

Standard CAS: 174350-06-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
174350-06-2
Multi CAS
No
Molecular Formula
C22H32F2
Molecular Weight
334.500000
Exact Mass
334.247207
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C3=C(C(=C(C=C3)C)F)F
InChI
InChI=1S/C22H32F2/c1-3-4-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-5-15(2)21(23)22(20)24/h5,14,16-19H,3-4,6-13H2,1-2H3
InChIKey
WHGVTSKLKPNRHU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.73
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
96.15
TPSA
0.0000

LogP / Solubility

WLOGP
7.15
MLOGP
6.31
XLogP3
8.8
Consensus LogP
7.42
Log S (ESOL)
-6.34
Class (ESOL)
Insoluble
Log S (Ali)
-7.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.25
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.32

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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