CAS RN: 51239-26-0
8-(4-CHLOROPHENYLTHIO)GUANOSINE 3′,5′-CYCLIC MONOPHOSPHATE SODIUM SALT
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260314 | 10mg / 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS51239-26-0
- Purity/Analytical Methods: >99.0%
51239-26-0 / sodium 2-amino-8-(4-chlorophenyl)sulfanyl-9-(7-hydroxy-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-5H-purin-6-one
Basic Information
CAS
51239-26-0
Multi CAS
Yes
Molecular Formula
C16H14CLN5NAO7PS
Molecular Weight
509.800000
Exact Mass
508.993778
InChI
InChI=1S/C16H15ClN5O7PS.Na/c17-6-1-3-7(4-2-6)31-16-19-9-12(20-15(18)21-13(9)24)22(16)14-10(23)11-8(28-14)5-27-30(25,26)29-11;/h1-4,8,10-11,14,23H,5H2,(H,25,26)(H3,18,20,21,24);/q;+1/p-1/t8-,10-,11-,14-;/m1./s1
InChIKey
REEQGIQRCDWDRA-ZBMQJGODSA-M
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
12
H-bond donors
2
Molar refractivity
107.53
TPSA
171.46
LogP / Solubility
WLOGP
-3.3
MLOGP
-2.87
XLogP3
-3.3
Consensus LogP
-3.16
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.47
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)
-8.17
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
6.5
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- Product Code: starshine_CAS51244-45-2
- Purity/Analytical method: >99.0%
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