[email protected]
CAS 12148-49-1 DICHLOROBIS(INDENYL)ZIRCONIUM(IV) molecular structure lightbox
CAS RN: 12148-49-1

DICHLOROBIS(INDENYL)ZIRCONIUM(IV)

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250504 1g In stock Inquiry
Batchno.20251015 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250403 1g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250516 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251002 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS12148-49-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

12148-49-1 / dichlorozirconium(2+);bis(1H-inden-1-ide)

Standard CAS: 12148-49-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
12148-49-1
Multi CAS
No
Molecular Formula
C18H14Cl2Zr
Molecular Weight
392.400000
Exact Mass
389.951955
SMILES
[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.Cl[Zr+2]Cl
InChI
InChI=1S/2C9H7.2ClH.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;;;/h2*1-7H;2*1H;/q2*-1;;;+4/p-2
InChIKey
OLWNTZDHHWRPPI-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
18
H-bond acceptors
2
Molar refractivity
90.79
TPSA
0.0000

LogP / Solubility

WLOGP
6.49
MLOGP
5.74
XLogP3
6.49
Consensus LogP
6.24
Log S (ESOL)
-7
Class (ESOL)
Insoluble
Log S (Ali)
-7.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.6
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Flammable Corrosive Irritant Environmental Hazard
Signal
Danger
GHS Hazard Statements
H261 (66.7%): In contact with water releases flammable gas [Danger Substances and mixtures which in contact with water, emit flammable gases] H314 (68.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H317 (29.8%): May cause an allergic skin reaction [Warning Sensitization, Skin] H400 (29.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (29.8%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P231+P232, P260, P261, P264, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P370+P378, P391, P402+P404, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us