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CAS 172172-24-6 (SP-5-13)-Chloro[[2,2′-[1,2-ethanediylbis[(nitrilo-κN)methylidyne]]bis[4,6-bis(1,1-dimethylethyl)phenolato-κO]](2-)]manganese molecular structure lightbox
CAS RN: 172172-24-6

(SP-5-13)-Chloro[[2,2′-[1,2-ethanediylbis[(nitrilo-κN)methylidyne]]bis[4,6-bis(1,1-dimethylethyl)phenolato-κO]](2-)]manganese

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251024 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20260309 10g In stock Wuhan Inquiry
Batchno.20260605 1g In stock Shanghai Inquiry
Batchno.20250528 5g In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: SSC-075716
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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: 5g
  • Available purity: ≥97%
  • 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 172172-24-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

172172-24-6 / 2,4-ditert-butyl-6-[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;manganese(3+);chloride

Standard CAS: 172172-24-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
172172-24-6
Multi CAS
No
Molecular Formula
C32H46ClMnN2O2
Molecular Weight
581.100000
Exact Mass
580.262824
SMILES
CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)[O-])C=NCCN=CC2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)[O-].[Cl-].[Mn+3]
InChI
InChI=1S/C32H48N2O2.ClH.Mn/c1-29(2,3)23-15-21(27(35)25(17-23)31(7,8)9)19-33-13-14-34-20-22-16-24(30(4,5)6)18-26(28(22)36)32(10,11)12;;/h15-20,35-36H,13-14H2,1-12H3;1H;/q;;+3/p-3
InChIKey
ONODLMNFAFHBJV-UHFFFAOYSA-K

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
12
Fraction Csp3
0.56
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
151.5
TPSA
70.84

LogP / Solubility

WLOGP
3.56
MLOGP
3.18
XLogP3
3.56
Consensus LogP
3.43
Log S (ESOL)
-5.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.99
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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