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CAS 2646-71-1 β-Nicotinamide Adenine Dinucleotide Phosphate Tetrasodium Salt reduced form [for Biochemical Research] molecular structure lightbox
CAS RN: 2646-71-1

β-Nicotinamide Adenine Dinucleotide Phosphate Tetrasodium Salt reduced form [for Biochemical Research]

Product Availability

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8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250126 100mg In stock Inquiry
Batchno.20250114 1g In stock Inquiry
Batchno.20260522 25mg In stock Inquiry
Batchno.20250220 500mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250314 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251022 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250111 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250829 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-124226
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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: 0.1g, 10g, 0.25g, 1g, 5g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 2646-71-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Beijing Inquiry
10g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g >95% 0 Out of Stock Shenzhen Inquiry
25g >95% 0 Out of Stock Beijing Inquiry

2646-71-1 / tetrasodium;[2-(6-aminopurin-9-yl)-5-[[[[5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate

Standard CAS: 2646-71-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2646-71-1
Multi CAS
No
Molecular Formula
C21H26N7Na4O17P3
Molecular Weight
833.300000
Exact Mass
833.018881
SMILES
C1C=CN(C=C1C(=O)N)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)OP(=O)([O-])[O-])O)O)O.[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C21H30N7O17P3.4Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32;;;;/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35);;;;/q;4*+1/p-4
InChIKey
WYWWVJHQDVCHKF-UHFFFAOYSA-J

Computed Properties

Structural Parameters

Heavy atom count
52
Aromatic heavy atom count
9
Fraction Csp3
0.52
Rotatable bonds
13
H-bond acceptors
23
H-bond donors
5
Molar refractivity
143.88
TPSA
375.47

LogP / Solubility

WLOGP
-17.08
MLOGP
-14.96
XLogP3
-17.08
Consensus LogP
-16.37
Log S (ESOL)
6.48
Class (ESOL)
Highly soluble
Log S (Ali)
5.94
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
7.54
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-19.93

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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