CAS RN: 36940-87-1
2′-O-Monosuccinyladenosine 3′:5′-cyclic monophosphate
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.20250710 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: LINO920416
36940-87-1 / 4-[[(4aR,6R,7R,7aR)-6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl]oxy]-4-oxobutanoic acid
Basic Information
CAS
36940-87-1
Multi CAS
Yes
Molecular Formula
C14H16N5O9P
Molecular Weight
429.280000
Exact Mass
429.068564
InChI
InChI=1S/C14H16N5O9P/c15-12-9-13(17-4-16-12)19(5-18-9)14-11(27-8(22)2-1-7(20)21)10-6(26-14)3-25-29(23,24)28-10/h4-6,10-11,14H,1-3H2,(H,20,21)(H,23,24)(H2,15,16,17)/t6-,10-,11-,14-/m1/s1
InChIKey
QNPSLGPIZRJDAN-UISLRAPISA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
12
H-bond donors
3
Molar refractivity
91.05
TPSA
198.21
LogP / Solubility
WLOGP
-0.4
MLOGP
-0.33
XLogP3
-2.6
Consensus LogP
-1.11
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately 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)
-5.62
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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