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CAS 2407516-83-8 cGAMP disodium molecular structure lightbox
CAS RN: 2407516-83-8

cGAMP disodium

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260120 1mg In stock Shanghai, Shandong Inquiry
Batchno.20250406 500μg In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250530 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS2407516-83-8
  • Purity/Analytical Methods: >99.0%
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2407516-83-8 / disodium;2-amino-9-[(1S,6R,8R,9R,10S,15R,17R,18R)-17-(6-aminopurin-9-yl)-9,18-dihydroxy-3,12-dioxido-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one

Standard CAS: 2407516-83-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2407516-83-8
Multi CAS
No
Molecular Formula
C20H22N10Na2O13P2
Molecular Weight
718.400000
Exact Mass
718.063843
SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(NC4=O)N)O)OP(=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C(N=CN=C76)N)O)OP(=O)(O1)[O-])[O-].[Na+].[Na+]
InChI
InChI=1S/C20H24N10O13P2.2Na/c21-14-8-15(24-3-23-14)29(4-25-8)18-10(31)12-6(40-18)1-38-45(36,37)43-13-7(2-39-44(34,35)42-12)41-19(11(13)32)30-5-26-9-16(30)27-20(22)28-17(9)33;;/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33);;/q;2*+1/p-2/t6-,7-,10-,11-,12-,13-,18-,19-;;/m1../s1
InChIKey
MFPHQIYDBUVTRL-DQNSRKNCSA-L

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
18
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
22
H-bond donors
5
Molar refractivity
138.99
TPSA
335.31

LogP / Solubility

WLOGP
-9.6
MLOGP
-8.38
XLogP3
-9.6
Consensus LogP
-9.19
Log S (ESOL)
1.6
Class (ESOL)
Highly soluble
Log S (Ali)
1.48
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.4
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)
-13.92

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
10

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