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CAS 81921-35-9 N6-METHYLADENOSINE 5′-MONOPHOSPHATE SODIUM SALT molecular structure lightbox
CAS RN: 81921-35-9

N6-METHYLADENOSINE 5′-MONOPHOSPHATE SODIUM SALT

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251005 5mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260701 5mg / 10mg / 50mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS81921-35-9
  • Purity/Analytical Methods: >99.0%
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81921-35-9 / disodium;[3,4-dihydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methyl phosphate

Standard CAS: 81921-35-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81921-35-9
Multi CAS
Yes
Molecular Formula
C11H14N5NA2O7P
Molecular Weight
405.210000
Exact Mass
405.042623
InChI
InChI=1S/C11H16N5O7P.2Na/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(18)7(17)5(23-11)2-22-24(19,20)21;;/h3-5,7-8,11,17-18H,2H2,1H3,(H,12,13,14)(H2,19,20,21);;/q;2*+1/p-2/t5-,7-,8-,11-;;/m1../s1
InChIKey
HFOKUKRAZPHTHH-LYYWGVPGSA-L

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
9
Fraction Csp3
0.55
Rotatable bonds
5
H-bond acceptors
12
H-bond donors
3
Molar refractivity
74.35
TPSA
177.74

LogP / Solubility

WLOGP
-8.66
MLOGP
-7.6
XLogP3
-8.66
Consensus LogP
-8.31
Log S (ESOL)
3.18
Class (ESOL)
Highly soluble
Log S (Ali)
3.37
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4.29
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)
-11.34

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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