![CAS 1391068-18-0 N-[(2S)-2,3-bis[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-2-methylpropan-2-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1391068-18-0.gif)
CAS RN: 1391068-18-0
N-[(2S)-2,3-bis[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-2-methylpropan-2-amine
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250718 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1391068-18-0
- Purity/Analytical Methods: >99.0%
1391068-18-0 / N-[(2S)-2,3-bis[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-2-methylpropan-2-amine
Basic Information
CAS
1391068-18-0
Multi CAS
No
Molecular Formula
C19H31N7O4S2
Molecular Weight
485.600000
Exact Mass
485.187895
SMILES
CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)OC3=NSN=C3N4CCOCC4
InChI
InChI=1S/C19H31N7O4S2/c1-19(2,3)20-12-14(30-18-16(22-32-24-18)26-6-10-28-11-7-26)13-29-17-15(21-31-23-17)25-4-8-27-9-5-25/h14,20H,4-13H2,1-3H3/t14-/m0/s1
InChIKey
SUZPUXCABRWWIA-AWEZNQCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
10
Fraction Csp3
0.79
Rotatable bonds
9
H-bond acceptors
13
H-bond donors
1
Molar refractivity
123.55
TPSA
106.99
LogP / Solubility
WLOGP
1.28
MLOGP
1.16
XLogP3
3
Consensus LogP
1.81
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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