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: 5g, 1g, 0.1g, 0.25g, 10g
- Available purity: >97%
- Inventory rows with stock: 4
- 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 |
|---|---|---|---|---|
| 5g | >97% | 4 In Stock | Shenzhen | Inquiry |
| 1g | >97% | 2 In Stock | Shanghai | Inquiry |
| 0.1g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 10g | >97% | 0 Out of Stock | Beijing | Inquiry |
5330-79-0 / 4-(2-methylphenyl)-1,3-thiazol-2-amine
Basic Information
CAS
5330-79-0
Multi CAS
Yes
Molecular Formula
C10H10N2S
Molecular Weight
190.270000
Exact Mass
190.056470
InChI
InChI=1S/C10H10N2S/c1-7-4-2-3-5-8(7)9-6-13-10(11)12-9/h2-6H,1H3,(H2,11,12)
InChIKey
LTKJVQJOAXVWNL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.7
TPSA
38.91
LogP / Solubility
WLOGP
2.7
MLOGP
2.38
XLogP3
2.6
Consensus LogP
2.56
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
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N-HYDROXY-2-PHENYL-ACETAMIDE
- CAS RN: 5330-97-2
- Product Code: starshine_CAS5330-97-2
- Purity/Analytical method: >99.0%
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