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CAS 10397-52-1 Linker for PCN-12 MOF molecular structure lightbox
CAS RN: 10397-52-1

Linker for PCN-12 MOF

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250208 100mg In stock Inquiry
Batchno.20250927 1g In stock Inquiry
Batchno.20250330 500mg In stock Inquiry
Batchno.20250618 5g In stock Inquiry
  • Product code: SSC-005629
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 10397-52-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

10397-52-1 / 5-[(3,5-dicarboxyphenyl)methyl]benzene-1,3-dicarboxylic acid

3,3',5,5'-tetracarboxydiphenylmethane | RefChem:484853 | 664-393-6

Standard CAS: 10397-52-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10397-52-1
Multi CAS
No
Molecular Formula
C17H12O8
Molecular Weight
344.300000
Exact Mass
344.053217
SMILES
C1=C(C=C(C=C1C(=O)O)C(=O)O)CC2=CC(=CC(=C2)C(=O)O)C(=O)O
InChI
InChI=1S/C17H12O8/c18-14(19)10-2-8(3-11(6-10)15(20)21)1-9-4-12(16(22)23)7-13(5-9)17(24)25/h2-7H,1H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)
InChIKey
RAESDWWKTFZWJA-UHFFFAOYSA-N
Synonyms
3,3',5,5'-tetracarboxydiphenylmethane RefChem:484853 664-393-6 5,5'-Methylenediisophthalic acid 5-[(3,5-DICARBOXYPHENYL)METHYL]BENZENE-1,3-DICARBOXYLIC ACID

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.06
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
4
Molar refractivity
83.53
TPSA
149.2

LogP / Solubility

WLOGP
2.07
MLOGP
1.84
XLogP3
1.9
Consensus LogP
1.94
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.34
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501

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