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CAS 153130-59-7 AD-​mix-​α molecular structure lightbox
CAS RN: 153130-59-7

AD-​mix-​α

Product Availability

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7 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260113 100g Out of stock Inquiry
Batchno.20260204 25g In stock Inquiry
Batchno.20260503 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250115 100g In stock Shanghai, Chongqing, Hebei Inquiry
Batchno.20250615 25g In stock Shanghai Inquiry
Batchno.20250701 5g In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251201 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: SSC-062705
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 100g, 25g, 500g
  • Available purity: >98%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 153130-59-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Beijing Inquiry
5g >98% 5 In Stock Hong Kong Inquiry
10g >98% 5 In Stock Shenzhen Inquiry
100g >98% 5 In Stock Shanghai Inquiry
25g >98% 2 In Stock Beijing Inquiry
500g >98% 2 In Stock Beijing Inquiry

153130-59-7 / AD-​mix-​α

Standard CAS: 153130-59-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
153130-59-7
Multi CAS
No
Molecular Formula
C55H67FeK5N12O7
Molecular Weight
1259.500000
Exact Mass
1258.279035
SMILES
CC[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](C3=C4C=C(C=CC4=NC=C3)OC)OC5=NN=C(C6=CC=CC=C65)O[C@@H]([C@H]7C[C@@H]8CCN7C[C@@H]8CC)C9=C1C=C(C=CC1=NC=C9)OC.[CH-]=N.[CH-]=N.[CH-]=N.[CH-]=N.[CH-]=N.[CH-]=N.C(=O)O[O-].[K].[K].[K+].[K][K].[Fe+6]
InChI
InChI=1S/C48H54N6O4.6CH2N.CH2O3.Fe.5K/c1-5-29-27-53-21-17-31(29)23-43(53)45(35-15-19-49-41-13-11-33(55-3)25-39(35)41)57-47-37-9-7-8-10-38(37)48(52-51-47)58-46(44-24-32-18-22-54(44)28-30(32)6-2)36-16-20-50-42-14-12-34(56-4)26-40(36)42;6*1-2;2-1-4-3;;;;;;/h7-16,19-20,25-26,29-32,43-46H,5-6,17-18,21-24,27-28H2,1-4H3;6*1-2H;1,3H;;;;;;/q;6*-1;;+6;;;;;+1/p-1/t29-,30+,31-,32+,43-,44-,45-,46-;;;;;;;;;;;;;/m1............./s1
InChIKey
XDJHFHZVOVAZDF-AHRKCFNPSA-M

Computed Properties

Structural Parameters

Heavy atom count
80
Aromatic heavy atom count
30
Fraction Csp3
0.4
Rotatable bonds
13
H-bond acceptors
19
H-bond donors
6
Molar refractivity
309.47
TPSA
287.42

LogP / Solubility

WLOGP
3.99
MLOGP
3.64
XLogP3
3.99
Consensus LogP
3.87
Log S (ESOL)
-9.58
Class (ESOL)
Insoluble
Log S (Ali)
-12.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.72
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-7.57

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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