![CAS 849513-58-2 N-[4-(2,4,6-Trimethylphenyl)-2-thiazolyl]-4-pyridinecarboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/849513-58-2.gif)
CAS RN: 849513-58-2
N-[4-(2,4,6-Trimethylphenyl)-2-thiazolyl]-4-pyridinecarboxamide
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.20250702 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-192709
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: >97%
- 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 | >97% | 0 Out of Stock | Beijing | Inquiry |
849513-58-2 / N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
Basic Information
CAS
849513-58-2
Multi CAS
No
Molecular Formula
C18H17N3OS
Molecular Weight
323.400000
Exact Mass
323.109233
InChI
InChI=1S/C18H17N3OS/c1-11-8-12(2)16(13(3)9-11)15-10-23-18(20-15)21-17(22)14-4-6-19-7-5-14/h4-10H,1-3H3,(H,20,21,22)
InChIKey
RFUKJHFXBGDHNJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
17
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
93.95
TPSA
54.88
LogP / Solubility
WLOGP
4.38
MLOGP
3.87
XLogP3
3.8
Consensus LogP
4.02
Log S (ESOL)
-4.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.76
Class (SILICOS-IT)
Slightly soluble
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)
-1.58
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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