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CAS 108347-97-3 SUCCINYL COENZYME A SODIUM SALT molecular structure lightbox
CAS RN: 108347-97-3

SUCCINYL COENZYME A SODIUM SALT

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251002 1mg Out of stock Inquiry
Batchno.20250217 5mg In stock Inquiry
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Batchno.20260103 1mg In stock Shanghai, Shandong, Guangdong, Chongqing Inquiry
Batchno.20260516 25mg Out of stock 20 business days Inquiry
Batchno.20251126 5mg In stock Shanghai, Chongqing Inquiry
  • Product code: starshine_CAS108347-97-3
  • Purity/Analytical Methods: >99.0%
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108347-97-3 / 4-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[hydroxy(oxido)phosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-4-oxobutanoate

Succinyl coenzyme A sodium salt

Standard CAS: 108347-97-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
108347-97-3
Multi CAS
Yes
Molecular Formula
C25H38N7O19P3S-2
Molecular Weight
865.600000
Exact Mass
865.115604
SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])C(C(=O)NCCC(=O)NCCSC(=O)CCC(=O)[O-])O
InChI
InChI=1S/C25H40N7O19P3S/c1-25(2,20(38)23(39)28-6-5-14(33)27-7-8-55-16(36)4-3-15(34)35)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(40,41)42)18(37)24(49-13)32-12-31-17-21(26)29-11-30-22(17)32/h11-13,18-20,24,37-38H,3-10H2,1-2H3,(H,27,33)(H,28,39)(H,34,35)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/p-2
InChIKey
VNOYUJKHFWYWIR-UHFFFAOYSA-L
Synonyms
Succinyl coenzyme A sodium salt

Computed Properties

Structural Parameters

Heavy atom count
55
Aromatic heavy atom count
9
Fraction Csp3
0.64
Rotatable bonds
22
H-bond acceptors
22
H-bond donors
8
Molar refractivity
179.12
TPSA
406.59

LogP / Solubility

WLOGP
-3.44
MLOGP
-2.94
XLogP3
-5.6
Consensus LogP
-3.99
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
Class (SILICOS-IT)
Slightly 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)
-10.44

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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