CAS RN: 51116-01-9

8-BROMOGUANOSINE 3′,5′-(CYCLIC) MONOPHOSPHATESODIUM SALT N-HYDRATE

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10 package records9 with current stock3 grade groups
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Batchno.20260305 10mg / 25mg Out of stock 5-7 business days Inquiry
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Batchno.20260220 100mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS51116-01-9
  • Purity/Analytical Methods: >99.0%
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51116-01-9 / 1-[ethoxy(ethyl)phosphoryl]sulfanylbutane

Standard CAS: 51116-01-9 Multi CAS: Yes

Basic Information

CAS
51116-01-9
Multi CAS
Yes
Molecular Formula
C8H19O2PS
Molecular Weight
210.280000
Exact Mass
210.084338
InChI
InChI=1S/C10H11BrN5O7P.Na/c11-9-13-3-6(14-10(12)15-7(3)18)16(9)8-4(17)5-2(22-8)1-21-24(19,20)23-5;/h2,4-5,8,17H,1H2,(H,19,20)(H3,12,14,15,18);/q;+1/p-1/t2-,4-,5-,8-;/m1./s1
InChIKey
ZJRFCXHKYQVNFK-YEOHUATISA-M

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
57.14
TPSA
26.3

LogP / Solubility

WLOGP
3.77
MLOGP
3.32
XLogP3
2.3
Consensus LogP
3.13
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-1.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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