![CAS 69500-53-4 (S)-4-[4-(Oxiranylmethoxy)-1,2,5-thiadiazol-3-yl]morpholine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/69500-53-4.gif)
CAS RN: 69500-53-4
(S)-4-[4-(Oxiranylmethoxy)-1,2,5-thiadiazol-3-yl]morpholine
- Product code: SSC-179206
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
69500-53-4 / 4-[4-(oxiran-2-ylmethoxy)-1,2,5-thiadiazol-3-yl]morpholine
Basic Information
CAS
69500-53-4
Multi CAS
Yes
Molecular Formula
C9H13N3O3S
Molecular Weight
243.290000
Exact Mass
243.067762
InChI
InChI=1S/C9H13N3O3S/c1-3-13-4-2-12(1)8-9(11-16-10-8)15-6-7-5-14-7/h7H,1-6H2/t7-/m0/s1
InChIKey
ZGZYFNICRHUUGD-ZETCQYMHSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.78
Rotatable bonds
4
H-bond acceptors
7
Molar refractivity
58.18
TPSA
60.01
LogP / Solubility
WLOGP
0.15
MLOGP
0.14
XLogP3
1.6
Consensus LogP
0.63
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
Class (SILICOS-IT)
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)
-4.1
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
2
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