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CAS 55672-92-9 COENZYME A SODIUM SALT molecular structure lightbox
CAS RN: 55672-92-9

COENZYME A SODIUM SALT

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260520 1mg / 5mg / 25mg / 100mg Confirm by inquiry Shanghai, Guangdong, Chongqing Inquiry
Batchno.20250420 25mg Out of stock Inquiry
Batchno.20250113 50mg Out of stock Inquiry
  • Product code: starshine_CAS55672-92-9
  • Purity/Analytical Methods: >99.0%
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55672-92-9 / sodium [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate

Standard CAS: 55672-92-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55672-92-9
Multi CAS
Yes
Molecular Formula
C21H35N7NAO16P3S
Molecular Weight
789.500000
Exact Mass
789.097155
InChI
InChI=1S/C21H36N7O16P3S.Na.H2O/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28;;/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35);;1H2/q;+1;/p-1/t11-,14-,15-,16+,20-;;/m1../s1
InChIKey
SYTRWOCXZXQBPW-CLVRNSBASA-M

Computed Properties

Structural Parameters

Heavy atom count
49
Aromatic heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
18
H-bond acceptors
19
H-bond donors
9
Molar refractivity
161.27
TPSA
349.39

LogP / Solubility

WLOGP
-5.29
MLOGP
-4.59
XLogP3
-5.29
Consensus LogP
-5.06
Log S (ESOL)
-0.35
Class (ESOL)
Very soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately 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)
-11.29

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
8

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