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CAS RN: 304903-80-8
CALCIUM BOROHYDRIDE BIS(TETRAHYDROFURAN)
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS304903-80-8
- Purity/Analytical Methods: >99.0%
304903-80-8 / calcium;boranuide;oxolane
Basic Information
CAS
304903-80-8
Multi CAS
Yes
Molecular Formula
C8H24B2CAO2
Molecular Weight
214.000000
Exact Mass
214.158831
InChI
InChI=1S/2C4H8O.2BH4.Ca/c2*1-2-4-5-3-1;;;/h2*1-4H2;2*1H4;/q;;2*-1;+2
InChIKey
QNDQIIWFODWXIW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
H-bond acceptors
2
Molar refractivity
68.53
TPSA
18.46
LogP / Solubility
WLOGP
-1.69
MLOGP
-1.49
XLogP3
-1.69
Consensus LogP
-1.62
Log S (ESOL)
-0.1
Class (ESOL)
Very soluble
Log S (Ali)
-0.09
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.35
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-5.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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