CAS RN: 472979-20-7
4-(2-AMINO-1,3-THIAZOL-4-YL)BENZENE-1,3-DIOLHYDROCHLORIDE
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.20251124 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-154195
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 |
472979-20-7 / 4-(2-amino-1,3-thiazol-4-yl)benzene-1,3-diol;hydrochloride
Basic Information
CAS
472979-20-7
Multi CAS
No
Molecular Formula
C9H9CLN2O2S
Molecular Weight
244.700000
Exact Mass
244.007326
InChI
InChI=1S/C9H8N2O2S.ClH/c10-9-11-7(4-14-9)6-2-1-5(12)3-8(6)13;/h1-4,12-13H,(H2,10,11);1H
InChIKey
IKZHBUBOEHGRCO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
3
Molar refractivity
62.54
TPSA
79.37
LogP / Solubility
WLOGP
2.23
MLOGP
1.96
XLogP3
2.23
Consensus LogP
2.14
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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