CAS RN: 70253-67-7

6-MB-CAMP SODIUM SALT

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Batchno.20251024 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS70253-67-7
  • Purity/Analytical Methods: >99.0%
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70253-67-7 / sodium N-[9-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]purin-6-yl]butanamide

Standard CAS: 70253-67-7 Multi CAS: Yes

Basic Information

CAS
70253-67-7
Multi CAS
Yes
Molecular Formula
C14H17N5NAO7P
Molecular Weight
421.280000
Exact Mass
421.076329
InChI
InChI=1S/C14H18N5O7P.Na/c1-2-3-8(20)18-12-9-13(16-5-15-12)19(6-17-9)14-10(21)11-7(25-14)4-24-27(22,23)26-11;/h5-7,10-11,14,21H,2-4H2,1H3,(H,22,23)(H,15,16,18,20);
InChIKey
UVMXPHRDUKTUCH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
9
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
11
H-bond donors
2
Molar refractivity
87.21
TPSA
160.75

LogP / Solubility

WLOGP
-3.29
MLOGP
-2.87
XLogP3
-3.29
Consensus LogP
-3.15
Log S (ESOL)
-0.35
Class (ESOL)
Very soluble
Log S (Ali)
-0.64
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.15
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)
-7.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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