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CAS 4958-39-8 3′-ADENYLIC ACID SODIUM SALT molecular structure lightbox
CAS RN: 4958-39-8

3′-ADENYLIC ACID SODIUM SALT

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250522 100mg In stock Inquiry
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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251230 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS4958-39-8
  • Purity/Analytical Methods: >99.0%
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4958-39-8 / 3′-ADENYLIC ACID SODIUM SALT

Standard CAS: 4958-39-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4958-39-8
Multi CAS
Yes
Molecular Formula
C10H14N5NAO7P
Molecular Weight
370.210000
Exact Mass
370.052854
InChI
InChI=1S/C10H14N5O7P.2Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20;;/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);;/q;2*+1/p-2/t4-,6-,7-,10-;;/m1../s1
InChIKey
ANSFNURBJWQHAI-IDIVVRGQSA-L

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
10
H-bond donors
5
Molar refractivity
79.41
TPSA
186.07

LogP / Solubility

WLOGP
-2.24
MLOGP
-1.95
XLogP3
-2.24
Consensus LogP
-2.14
Log S (ESOL)
-0.74
Class (ESOL)
Very soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.68
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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