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CAS 85939-49-7 Mn(III) Meso-Tetra(2,4,6-triMethylphenyl)porphine chloride molecular structure lightbox
CAS RN: 85939-49-7

Mn(III) Meso-Tetra(2,4,6-triMethylphenyl)porphine chloride

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260516 100mg In stock Shanghai Inquiry
Batchno.20250804 1g Out of stock Inquiry
Batchno.20250910 250mg In stock Shanghai Inquiry
  • Product code: SSC-194634
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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: 0.25g
  • 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 85939-49-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

85939-49-7 / manganese(3+);5,10,15,20-tetrakis(2,4,6-trimethylphenyl)porphyrin-22,24-diide;chloride

Standard CAS: 85939-49-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
85939-49-7
Multi CAS
Yes
Molecular Formula
C56H52CLMNN4
Molecular Weight
871.400000
Exact Mass
870.326093
InChI
InChI=1S/C56H52N4.ClH.Mn/c1-29-21-33(5)49(34(6)22-29)53-41-13-15-43(57-41)54(50-35(7)23-30(2)24-36(50)8)45-17-19-47(59-45)56(52-39(11)27-32(4)28-40(52)12)48-20-18-46(60-48)55(44-16-14-42(53)58-44)51-37(9)25-31(3)26-38(51)10;;/h13-28H,1-12H3;1H;/q-2;;+3/p-1
InChIKey
DJRQGDJTRUAUPG-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
62
Aromatic heavy atom count
44
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
255.38
TPSA
53.98

LogP / Solubility

WLOGP
11.28
MLOGP
10.01
XLogP3
11.28
Consensus LogP
10.86
Log S (ESOL)
-12.61
Class (ESOL)
Insoluble
Log S (Ali)
-14.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.17
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.02

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

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