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CAS 1565828-96-7 MOF-74(Mg) molecular structure lightbox
CAS RN: 1565828-96-7

MOF-74(Mg)

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5 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250415 100mg Out of stock Inquiry
Batchno.20260624 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batchno.20250522 1g Out of stock Inquiry
Batchno.20260421 250mg Out of stock Inquiry
Batchno.20260309 5g Out of stock Inquiry
  • Product code: starshine_CAS1565828-96-7
  • Purity/Analytical Methods: >99.0%
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1565828-96-7 / dimagnesium;2,5-dioxidoterephthalate;dihydroxide

Standard CAS: 1565828-96-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1565828-96-7
Multi CAS
No
Molecular Formula
C8H4Mg2O8-2
Molecular Weight
276.720000
Exact Mass
275.960701
SMILES
C1=C(C(=CC(=C1[O-])C(=O)[O-])[O-])C(=O)[O-].[OH-].[OH-].[Mg+2].[Mg+2]
InChI
InChI=1S/C8H6O6.2Mg.2H2O/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14;;;;/h1-2,9-10H,(H,11,12)(H,13,14);;;2*1H2/q;2*+2;;/p-6
InChIKey
LBDRSPDGBRDYDJ-UHFFFAOYSA-H

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
2
Molar refractivity
49.37
TPSA
186.38

LogP / Solubility

WLOGP
-4.55
MLOGP
-4
XLogP3
-4.55
Consensus LogP
-4.37
Log S (ESOL)
1.2
Class (ESOL)
Highly soluble
Log S (Ali)
1.46
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.08
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)
-7.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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