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CAS 138265-88-0 FIREBRAKE(R) ZB molecular structure lightbox
CAS RN: 138265-88-0

FIREBRAKE(R) ZB

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  • Product code: starshine_CAS138265-88-0
  • Purity/Analytical Methods: >99.0%
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138265-88-0 / FIREBRAKE(R) ZB

Standard CAS: 138265-88-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
138265-88-0
Multi CAS
No
Molecular Formula
BHO2Zn-
Molecular Weight
109.200000
Exact Mass
107.936101
SMILES
[B].[OH-].[O].[Zn]
InChI
InChI=1S/B.H2O.O.Zn/h;1H2;;/p-1
InChIKey
LJUNORKSFCLIQN-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
8.38
TPSA
58.5

LogP / Solubility

WLOGP
-0.68
MLOGP
-0.61
XLogP3
-0.68
Consensus LogP
-0.66
Log S (ESOL)
-0.09
Class (ESOL)
Very soluble
Log S (Ali)
0.03
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.19
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.87

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
1

Safety & Transport

Pictogram(s)
Health Hazard Environmental Hazard
Signal
Warning Danger
GHS Hazard Statements
H361 (16.6%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] H361d (32%): Suspected of damaging the unborn child [Warning Reproductive toxicity] H361fd (11.7%): Suspected of damaging fertility; Suspected of damaging the unborn child [Warning Reproductive toxicity] H400 (94.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (42.2%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P273, P280, P318, P391, P405, and P501 P203, P280, P318, P405, and P501

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