CAS RN: 189011-00-5
4-(3-BROMO-4-METHOXYPHENYL)-1,3-THIAZOL-2-AMINE
- Product code: SSC-088096
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 |
189011-00-5 / 4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine
Basic Information
CAS
189011-00-5
Multi CAS
No
Molecular Formula
C10H9BrN2OS
Molecular Weight
285.160000
Exact Mass
283.961900
SMILES
COC1=C(C=C(C=C1)C2=CSC(=N2)N)Br
InChI
InChI=1S/C10H9BrN2OS/c1-14-9-3-2-6(4-7(9)11)8-5-15-10(12)13-8/h2-5H,1H3,(H2,12,13)
InChIKey
VWSACNUWIZRJGM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
66.21
TPSA
48.14
LogP / Solubility
WLOGP
3.16
MLOGP
2.79
XLogP3
2.9
Consensus LogP
2.95
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
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)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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