CAS RN: 1202773-08-7
4-(2-Chloroacetyl)-7-nitro-2H-1,4-benzothiazine
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.20260530 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-021138
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 |
1202773-08-7 / 2-chloro-1-(7-nitro-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
2-Chloro-1-(7-nitro-2H-benzo[b][1,4]thiazin-4(3H)-yl)ethanone | 2-chloro-1-(7-nitro-2,3-dihydro-4H-benzo[b][1,4]thiazin-4-yl)ethan-1-one | MFCD23379862
Basic Information
CAS
1202773-08-7
Multi CAS
No
Molecular Formula
C10H9ClN2O3S
Molecular Weight
272.710000
Exact Mass
272.002241
SMILES
C1CSC2=C(N1C(=O)CCl)C=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H9ClN2O3S/c11-6-10(14)12-3-4-17-9-5-7(13(15)16)1-2-8(9)12/h1-2,5H,3-4,6H2
InChIKey
FICCRNLYYKLDQS-UHFFFAOYSA-N
Synonyms
2-Chloro-1-(7-nitro-2H-benzo[b][1,4]thiazin-4(3H)-yl)ethanone
2-chloro-1-(7-nitro-2,3-dihydro-4H-benzo[b][1,4]thiazin-4-yl)ethan-1-one
MFCD23379862
2-chloro-1-(7-nitro-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
2-Chloro-1-[7-nitro-2H-benzo[b][1,4]thiazin-4(3H)-yl]ethanone
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
66.89
TPSA
63.45
LogP / Solubility
WLOGP
2.27
MLOGP
2.01
XLogP3
2
Consensus LogP
2.09
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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)
-2.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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