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CAS 84-21-9 3′-ADENYLIC ACID molecular structure lightbox
CAS RN: 84-21-9

3′-ADENYLIC ACID

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260512 10mg Out of stock Inquiry
Batchno.20260630 1mg Out of stock Inquiry
Batchno.20260306 25mg In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250521 5mg Out of stock Inquiry
  • Product code: starshine_CAS84-21-9
  • Purity/Analytical Methods: >99.0%
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84-21-9 / [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate

Standard CAS: 84-21-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
84-21-9
Multi CAS
Yes
Molecular Formula
C10H14N5O7P
Molecular Weight
347.220000
Exact Mass
347.063085
InChI
InChI=1S/C10H14N5O7P/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)/t4-,6-,7-,10-/m1/s1
InChIKey
LNQVTSROQXJCDD-KQYNXXCUSA-N

Physical Properties

Melting Point
197 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
10
H-bond donors
5
Molar refractivity
73.66
TPSA
186.07

LogP / Solubility

WLOGP
-1.86
MLOGP
-1.62
XLogP3
-2.7
Consensus LogP
-2.06
Log S (ESOL)
-0.84
Class (ESOL)
Very soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.85
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)
-6.16

Drug-likeness / Medicinal Chemistry

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

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