CAS RN: 97759-16-5
S 186
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.20260321 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS97759-16-5
- Purity/Analytical Methods: >99.0%
97759-16-5 / S 186
Basic Information
CAS
97759-16-5
Multi CAS
Yes
Molecular Formula
C5H13CANNAO7P2
Molecular Weight
324.170000
Exact Mass
323.969086
InChI
InChI=1S/C5H13NO7P2.Ca.Na/c1-3-5(6-4(2)7,14(8,9)10)15(11,12)13;;/h3H2,1-2H3,(H,6,7)(H2,8,9,10)(H2,11,12,13);;
InChIKey
WPTHTLCSASTWJP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
5
Molar refractivity
62.43
TPSA
144.16
LogP / Solubility
WLOGP
-1.22
MLOGP
-1.06
XLogP3
-1.22
Consensus LogP
-1.17
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.23
Class (SILICOS-IT)
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)
-5.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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