CAS RN: 142507-74-2
D-MYO-INOSITOL 1,3,4,6-TETRAKISPHOSPHATE, OCTAAMMONIUM 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.20260125 | 500μg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS142507-74-2
- Purity/Analytical Methods: >99.0%
142507-74-2 / azane;[(1S,3R,4R,6S)-2,5-dihydroxy-3,4,6-triphosphonooxycyclohexyl] dihydrogen phosphate
Basic Information
CAS
142507-74-2
Multi CAS
No
Molecular Formula
C6H40N8O18P4
Molecular Weight
636.320000
Exact Mass
636.141104
SMILES
[C@H]1([C@H](C([C@H]([C@@H](C1O)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O.N.N.N.N.N.N.N.N
InChI
InChI=1S/C6H16O18P4.8H3N/c7-1-3(21-25(9,10)11)5(23-27(15,16)17)2(8)6(24-28(18,19)20)4(1)22-26(12,13)14;;;;;;;;/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);8*1H3/t1?,2?,3-,4+,5-,6+;;;;;;;;
InChIKey
KYJQGWXFJWPHKE-NBMJPRJCSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
18
H-bond donors
18
Molar refractivity
119.86
TPSA
587.5
LogP / Solubility
WLOGP
-2.07
MLOGP
-1.77
XLogP3
-2.07
Consensus LogP
-1.97
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly 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)
-8.07
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
6
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