CAS RN: 1638526-21-2
FWMUIOJZHOPPDX-UHFFFAOYSA-N
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250104 | 1mg / 5mg / 10mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250714 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20251202 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260205 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250410 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250227 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20251228 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1638526-21-2
- Purity/Analytical Methods: >99.0%
1638526-21-2 / 4-[[4-(3,4-dichlorophenyl)-1,2,5-thiadiazol-3-yl]oxy]butan-1-ol
Basic Information
CAS
1638526-21-2
Multi CAS
No
Molecular Formula
C12H12Cl2N2O2S
Molecular Weight
319.200000
Exact Mass
317.999654
SMILES
C1=CC(=C(C=C1C2=NSN=C2OCCCCO)Cl)Cl
InChI
InChI=1S/C12H12Cl2N2O2S/c13-9-4-3-8(7-10(9)14)11-12(16-19-15-11)18-6-2-1-5-17/h3-4,7,17H,1-2,5-6H2
InChIKey
FWMUIOJZHOPPDX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
77.18
TPSA
55.24
LogP / Solubility
WLOGP
3.66
MLOGP
3.24
XLogP3
3.6
Consensus LogP
3.5
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07
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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![CAS 1638644-62-8 6-Chloro-10,11,14,17-tetrahydro-13H-1,16-etheno-4,8-metheno-1H-pyrazolo[3,4-g][1,14,4,6]dioxadiazacyclohexadecine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638644-62-8.gif)
