CAS RN: 62828-63-1
N7-methyl-Guanosine-5′-triphosphate-5′-Adenosine
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.20250414 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS62828-63-1
- Purity/Analytical Methods: >99.0%
62828-63-1 / 2-amino-9-[5-[[[[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]-7-methylpurin-9-ium-6-olate
Basic Information
CAS
62828-63-1
Multi CAS
Yes
Molecular Formula
C21H29N10O17P3
Molecular Weight
786.400000
Exact Mass
786.092500
InChI
InChI=1S/C21H29N10O17P3/c1-29-6-31(17-10(29)18(36)28-21(23)27-17)20-14(35)12(33)8(46-20)3-44-50(39,40)48-51(41,42)47-49(37,38)43-2-7-11(32)13(34)19(45-7)30-5-26-9-15(22)24-4-25-16(9)30/h4-8,11-14,19-20,32-35H,2-3H2,1H3,(H7-,22,23,24,25,27,28,36,37,38,39,40,41,42)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
InChIKey
QQOHNVHGNZYSBP-XPWFQUROSA-N
Computed Properties
Structural Parameters
Heavy atom count
51
Aromatic heavy atom count
18
Fraction Csp3
0.52
Rotatable bonds
12
H-bond acceptors
23
H-bond donors
9
Molar refractivity
157.69
TPSA
401.49
LogP / Solubility
WLOGP
-4.06
MLOGP
-3.5
XLogP3
-6.4
Consensus LogP
-4.65
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.84
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)
-10.4
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
10
