CAS RN: 1039326-79-8
4-iodo-1,3-benzothiazol-2-amine
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.20251205 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-005584
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 |
1039326-79-8 / 4-iodo-1,3-benzothiazol-2-amine
4-Iodobenzo[d]thiazol-2-amine | 4-Iodo-1,3-benzothiazol-2-amine | 2-Amino-4-iodo-1,3-benzothiazole
Basic Information
CAS
1039326-79-8
Multi CAS
No
Molecular Formula
C7H5IN2S
Molecular Weight
276.100000
Exact Mass
275.921820
SMILES
C1=CC2=C(C(=C1)I)N=C(S2)N
InChI
InChI=1S/C7H5IN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)
InChIKey
TUXDMUCMYYXVQX-UHFFFAOYSA-N
Synonyms
4-Iodobenzo[d]thiazol-2-amine
4-Iodo-1,3-benzothiazol-2-amine
2-Amino-4-iodo-1,3-benzothiazole
MFCD11194508
SCHEMBL24858578
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.75
TPSA
38.91
LogP / Solubility
WLOGP
2.48
MLOGP
2.19
XLogP3
2.7
Consensus LogP
2.46
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64
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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