CAS RN: 62927-99-5
CYCLOPENTADIENYLMOLYBDENUM (V) TETRACHLORIDE
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS62927-99-5
- Purity/Analytical Methods: >99.0%
62927-99-5 / cyclopenta-1,3-diene;tetrachloromolybdenum
Basic Information
CAS
62927-99-5
Multi CAS
Yes
Molecular Formula
C5H5CL4MO
Molecular Weight
302.800000
Exact Mass
304.816989
InChI
InChI=1S/C5H5.4ClH.Mo/c1-2-4-5-3-1;;;;;/h1-5H;4*1H;/q-1;;;;;+4/p-4
InChIKey
CYTXNDFWQMHWPI-UHFFFAOYSA-J
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
H-bond acceptors
1
Molar refractivity
45.45
TPSA
0.0000
LogP / Solubility
WLOGP
4.16
MLOGP
3.67
XLogP3
4.16
Consensus LogP
4
Log S (ESOL)
-4.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.08
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-1.61
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
