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CAS 375-88-2 Pentadecafluoroheptyl Bromide molecular structure lightbox
CAS RN: 375-88-2

Pentadecafluoroheptyl Bromide

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260208 1g In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251007 1g In stock Shanghai Inquiry
Batchno.20260307 250mg In stock Shanghai, Wuhan Inquiry
Batchno.20250627 5g Out of stock Inquiry
  • Product code: ICTP1753
  • Purity/Analytical Methods: >97.0%(GC)
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375-88-2 / 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane

Standard CAS: 375-88-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
375-88-2
Multi CAS
No
Molecular Formula
C7BrF15
Molecular Weight
448.950000
Exact Mass
447.894390
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)Br)(F)F)(F)F)(F)F
InChI
InChI=1S/C7BrF15/c8-6(19,20)4(15,16)2(11,12)1(9,10)3(13,14)5(17,18)7(21,22)23
InChIKey
VPQQZKWYZYVTMU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
15
Molar refractivity
44.66
TPSA
0.0000

LogP / Solubility

WLOGP
5.71
MLOGP
5.06
XLogP3
6.2
Consensus LogP
5.66
Log S (ESOL)
-5.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.92
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
Yes
Log Kp (skin permeation)
-1.4

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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