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CAS RN: 105512-81-0
4-(3-BROMO-PHENYL)-THIAZOL-2-YLAMINE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-007235
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 0.1g, 0.25g, 10g, 25g, 100g
- Available purity: >97%
- Inventory rows with stock: 7
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >97% | 5 In Stock | Shanghai | Inquiry |
| 5g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 0.1g | >97% | 3 In Stock | Shanghai | Inquiry |
| 0.25g | >97% | 3 In Stock | Shanghai | Inquiry |
| 10g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 25g | >97% | 2 In Stock | Beijing | Inquiry |
| 100g | >97% | 1 In Stock | Shenzhen | Inquiry |
105512-81-0 / 4-(3-bromophenyl)-1,3-thiazol-2-amine
4-(3-bromophenyl)-1,3-thiazol-2-amine | DTXSID60352335 | RefChem:513079
Basic Information
CAS
105512-81-0
Multi CAS
Yes
Molecular Formula
C9H7BrN2S
Molecular Weight
255.140000
Exact Mass
253.951330
SMILES
C1=CC(=CC(=C1)Br)C2=CSC(=N2)N
InChI
InChI=1S/C9H7BrN2S/c10-7-3-1-2-6(4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)
InChIKey
PDNKBFMOKUBDDR-UHFFFAOYSA-N
Synonyms
4-(3-bromophenyl)-1,3-thiazol-2-amine
DTXSID60352335
RefChem:513079
DTXCID80303400
673-354-2
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.66
TPSA
38.91
LogP / Solubility
WLOGP
3.15
MLOGP
2.78
XLogP3
3
Consensus LogP
2.98
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly 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)
-2.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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