![CAS 1973485-27-6 4-[(4-bromo-3-fluorophenyl)methyl]-1λ-thiomorpholine-1,1-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB83121841(1).gif)
CAS RN: 1973485-27-6
4-[(4-bromo-3-fluorophenyl)methyl]-1λ-thiomorpholine-1,1-dione
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.20250327 | 1g / 5g / 10g | Out of stock | 1 business days | Inquiry |
- Product code: SSC-093075
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 | Hong Kong | Inquiry |
1973485-27-6 / 4-[(4-bromo-3-fluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide
Basic Information
CAS
1973485-27-6
Multi CAS
No
Molecular Formula
C11H13BrFNO2S
Molecular Weight
322.200000
Exact Mass
320.983440
SMILES
C1CS(=O)(=O)CCN1CC2=CC(=C(C=C2)Br)F
InChI
InChI=1S/C11H13BrFNO2S/c12-10-2-1-9(7-11(10)13)8-14-3-5-17(15,16)6-4-14/h1-2,7H,3-6,8H2
InChIKey
BIIMHCMVLWTMGK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
68.03
TPSA
37.38
LogP / Solubility
WLOGP
1.82
MLOGP
1.62
XLogP3
1.7
Consensus LogP
1.71
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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