CAS RN: 649749-10-0
ATN-224
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.20260131 | 2mg / 5mg / 25mg / 100mg | Confirm by inquiry | Shandong, Shanghai | Inquiry |
- Product code: starshine_CAS649749-10-0
- Purity/Analytical Methods: >99.0%
649749-10-0 / bis(sulfanylidene)molybdenum;bis(2-hydroxyethyl(trimethyl)azanium);sulfanide
Basic Information
CAS
649749-10-0
Multi CAS
Yes
Molecular Formula
C10H30MoN2O2S4
Molecular Weight
434.600000
Exact Mass
436.024417
InChI
InChI=1S/2C5H14NO.Mo.2H2S.2S/c2*1-6(2,3)4-5-7;;;;;/h2*7H,4-5H2,1-3H3;;2*1H2;;/q2*+1;;;;;/p-2
InChIKey
FSWNJZRQQVVVJT-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
92.67
TPSA
40.46
LogP / Solubility
WLOGP
0.12
MLOGP
0.14
XLogP3
0.12
Consensus LogP
0.13
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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