CAS RN: 925456-59-3
Rp-8-bromo-Cyclic AMPS (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.20250311 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS925456-59-3
- Purity/Analytical Methods: >99.0%
925456-59-3 / sodium;(4aR,6R,7R,7aS)-6-(6-amino-8-bromopurin-9-yl)-2-hydroxy-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol;hydride
Basic Information
CAS
925456-59-3
Multi CAS
Yes
Molecular Formula
C10H12BRN5NAO5PS
Molecular Weight
448.170000
Exact Mass
446.937780
InChI
InChI=1S/C10H11BrN5O5PS.Na/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(20-9)1-19-22(18,23)21-6;/h2-3,5-6,9,17H,1H2,(H,18,23)(H2,12,13,14);/q;+1/p-1/t3-,5-,6-,9-,22?;/m1./s1
InChIKey
SKJLJCVVXRNYGJ-QKAIHBBZSA-M
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
10
H-bond donors
3
Molar refractivity
85.79
TPSA
137.77
LogP / Solubility
WLOGP
-2.82
MLOGP
-2.45
XLogP3
-2.82
Consensus LogP
-2.7
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.35
Class (SILICOS-IT)
Very 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)
-7.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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