CAS RN: 554438-84-5
(2-METHOXY-BENZYL)-(4-P-TOLYL-THIAZOL-2-YL)-AMINE
- Product code: SSC-163366
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
554438-84-5 / N-[(2-methoxyphenyl)methyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine
Basic Information
CAS
554438-84-5
Multi CAS
No
Molecular Formula
C18H18N2OS
Molecular Weight
310.400000
Exact Mass
310.113984
InChI
InChI=1S/C18H18N2OS/c1-13-7-9-14(10-8-13)16-12-22-18(20-16)19-11-15-5-3-4-6-17(15)21-2/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKey
GENMYJAHHBAALH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
17
Fraction Csp3
0.17
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
92.61
TPSA
34.15
LogP / Solubility
WLOGP
4.74
MLOGP
4.18
XLogP3
4.8
Consensus LogP
4.57
Log S (ESOL)
-4.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.21
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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