CAS RN: 345958-55-6
D-Myo-inositol-1,4,5-triphosphate (aMMoniuM salt)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260129 | 100μg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS345958-55-6
- Purity/Analytical Methods: >99.0%
345958-55-6 / azane;(2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl) dihydrogen phosphate
Basic Information
CAS
345958-55-6
Multi CAS
Yes
Molecular Formula
C6H18NO15P3
Molecular Weight
437.130000
Exact Mass
436.988930
InChI
InChI=1S/C6H15O15P3.H3N/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12;/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18);1H3
InChIKey
LCBKVESQTQJLKF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
10
H-bond donors
10
Molar refractivity
73.79
TPSA
295.97
LogP / Solubility
WLOGP
-3.32
MLOGP
-2.89
XLogP3
-3.32
Consensus LogP
-3.18
Log S (ESOL)
-0.06
Class (ESOL)
Very soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.46
Class (SILICOS-IT)
Very 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)
-7.74
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
Customers Also Viewed
-
-
1-(4-BROMOPHENYL)CYCLOPROPANECARBOXYLIC ACID
- CAS RN: 345965-52-8
- Product Code: SSC-141121
-
-
4-BROMO-N-CYCLOPROPYL-2-METHYL-BENZAMIDE(WXG00232)
- CAS RN: 345965-99-3
- Product Code: SSC-141123
-
-
(R)-2-((2-NITROPHENOXY)METHYL)OXIRANE
- CAS RN: 345975-15-7
- Product Code: starshine_CAS345975-15-7
- Purity/Analytical method: >99.0%
