CAS RN: 4984-82-1
SODIUM CYCLOPENTADIENIDE
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS4984-82-1
- Purity/Analytical Methods: >99.0%
4984-82-1 / sodium cyclopenta-1,3-diene
Basic Information
CAS
4984-82-1
Multi CAS
Yes
Molecular Formula
C5H5NA
Molecular Weight
88.080000
Exact Mass
88.028894
InChI
InChI=1S/C5H5.Na/c1-2-4-5-3-1;/h1-5H;/q-1;+1
InChIKey
OHUVHDUNQKJDKW-UHFFFAOYSA-N
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
6
Aromatic heavy atom count
5
H-bond acceptors
1
Molar refractivity
22.03
TPSA
0.0000
LogP / Solubility
WLOGP
-1.59
MLOGP
-1.41
XLogP3
-1.59
Consensus LogP
-1.53
Class (ESOL)
Very soluble
Log S (Ali)
0.87
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.09
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)
-4.39
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
1.5
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- Product Code: starshine_CAS4985-70-0
- Purity/Analytical method: >99.0%
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