CAS RN: 72854-21-8
Zirconium naphthenate
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock2 grade groups
- Product code: starshine_CAS72854-21-8
- Purity/Analytical Methods: >99.0%
72854-21-8 / tetrakis(naphthalene-1-carboxylate);zirconium(4+)
Basic Information
CAS
72854-21-8
Multi CAS
Yes
Molecular Formula
C44H28O8Zr
Molecular Weight
775.900000
Exact Mass
774.083117
InChI
InChI=1S/4C11H8O2.Zr/c4*12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;/h4*1-7H,(H,12,13);/q;;;;+4/p-4
InChIKey
YFBCIWLMUBBGBE-UHFFFAOYSA-J
Computed Properties
Structural Parameters
Heavy atom count
53
Aromatic heavy atom count
40
Rotatable bonds
4
H-bond acceptors
8
Molar refractivity
193.11
TPSA
160.52
LogP / Solubility
WLOGP
4.81
MLOGP
4.3
XLogP3
4.81
Consensus LogP
4.64
Log S (ESOL)
-7.98
Class (ESOL)
Insoluble
Log S (Ali)
-9.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.18
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5
Customers Also Viewed
-
Echitoveniline
- CAS RN: 72855-79-9
- Product Code: starshine_CAS72855-79-9
- Purity/Analytical method: >99.0%
-
-
-
3,4-DIBROMO-5-PHENYL-2(5H)-FURANONE
- CAS RN: 72857-86-4
- Product Code: starshine_CAS72857-86-4
- Purity/Analytical method: >99.0%
-
4,4”-DIFLUORO-1,1′,4′,1”-TERPHENYL
- CAS RN: 72864-01-8
- Product Code: starshine_CAS72864-01-8
- Purity/Analytical method: >99.0%
-
METHYL 3-HYDROXYDODECANOATE
- CAS RN: 72864-23-4
- Product Code: starshine_CAS72864-23-4
- Purity/Analytical method: >99.0%
