CAS RN: 2222132-40-1
Cyclic di-GMP (sodium salt)
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250808 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260217 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250919 | 1mg / 5mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260225 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250518 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250305 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2222132-40-1
- Purity/Analytical Methods: >99.0%
2222132-40-1 / disodium;2-amino-9-[(1S,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-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
Basic Information
CAS
2222132-40-1
Multi CAS
No
Molecular Formula
C20H22N10Na2O14P2
Molecular Weight
734.400000
Exact Mass
734.058758
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=C6N=C(NC7=O)N)O)OP(=O)(O1)[O-])[O-].[Na+].[Na+]
InChI
InChI=1S/C20H24N10O14P2.2Na/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34;;/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34);;/q;2*+1/p-2/t5-,6-,9-,10-,11-,12-,17-,18-;;/m1../s1
InChIKey
SVIXOIGPVFFABR-XDODWTFASA-L
Computed Properties
Structural Parameters
Heavy atom count
48
Aromatic heavy atom count
18
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
22
H-bond donors
6
Molar refractivity
141.82
TPSA
355.28
LogP / Solubility
WLOGP
-10.3
MLOGP
-9
XLogP3
-10.3
Consensus LogP
-9.87
Log S (ESOL)
1.95
Class (ESOL)
Highly soluble
Log S (Ali)
1.86
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.88
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)
-14.52
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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