![CAS 438029-51-7 4-CHLORO-2-[(4-METHYLPHENYL)AMINO]-1,3-THIAZOLE-5-CARBALDEHYDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1694233.gif)
CAS RN: 438029-51-7
4-CHLORO-2-[(4-METHYLPHENYL)AMINO]-1,3-THIAZOLE-5-CARBALDEHYDE
- Product code: SSC-151866
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 | Beijing | Inquiry |
438029-51-7 / 4-chloro-2-(4-methylanilino)-1,3-thiazole-5-carbaldehyde
Basic Information
CAS
438029-51-7
Multi CAS
No
Molecular Formula
C11H9CLN2OS
Molecular Weight
252.720000
Exact Mass
252.012412
InChI
InChI=1S/C11H9ClN2OS/c1-7-2-4-8(5-3-7)13-11-14-10(12)9(6-15)16-11/h2-6H,1H3,(H,13,14)
InChIKey
JDOIRYXVHWRKDR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
66.97
TPSA
41.99
LogP / Solubility
WLOGP
3.66
MLOGP
3.23
XLogP3
4
Consensus LogP
3.63
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
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)
-1.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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