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CAS 1193372-03-0 MIL-125(Ti) molecular structure lightbox
CAS RN: 1193372-03-0

MIL-125(Ti)

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260323 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251203 100mg In stock Shanghai Inquiry
Batchno.20260217 1g In stock Shanghai Inquiry
Batchno.20260306 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1193372-03-0
  • Purity/Analytical Methods: >99.0%
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1193372-03-0 / octakis(oxygen(2-));terephthalate;octakis(titanium(4+));tetrahydroxide

CID 160315322 | SUCROSE PHOSPHORYLASE | Bucelipase alfa

Standard CAS: 1193372-03-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1193372-03-0
Multi CAS
Yes
Molecular Formula
C48H28O36Ti8
Molecular Weight
1563.600000
Exact Mass
1563.619553
SMILES
C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].[OH-].[OH-].[OH-].[OH-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4]
InChI
InChI=1S/6C8H6O4.4H2O.8O.8Ti/c6*9-7(10)5-1-2-6(4-3-5)8(11)12;;;;;;;;;;;;;;;;;;;;/h6*1-4H,(H,9,10)(H,11,12);4*1H2;;;;;;;;;;;;;;;;/q;;;;;;;;;;8*-2;8*+4/p-16
InChIKey
UOOFDWNDJVPECW-UHFFFAOYSA-A
Synonyms
CID 160315322 SUCROSE PHOSPHORYLASE Bucelipase alfa Luciferase from Vibrio fischeri (Photobacterium f) DA-75147

Computed Properties

Structural Parameters

Heavy atom count
92
Aromatic heavy atom count
36
Rotatable bonds
12
H-bond acceptors
28
H-bond donors
4
Molar refractivity
223.85
TPSA
829.56

LogP / Solubility

WLOGP
-11.2
MLOGP
-9.69
XLogP3
-11.2
Consensus LogP
-10.7
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
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)
-20.21

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5

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