![CAS 446829-85-2 3-METHYL-6-PHENYL-IMIDAZO[2,1-B]THIAZOLE-2-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2167954.gif)
CAS RN: 446829-85-2
3-METHYL-6-PHENYL-IMIDAZO[2,1-B]THIAZOLE-2-CARBOXYLIC ACID
- Product code: SSC-152707
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 | Beijing | Inquiry |
446829-85-2 / 3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
Basic Information
CAS
446829-85-2
Multi CAS
No
Molecular Formula
C13H10N2O2S
Molecular Weight
258.300000
Exact Mass
258.046299
InChI
InChI=1S/C13H10N2O2S/c1-8-11(12(16)17)18-13-14-10(7-15(8)13)9-5-3-2-4-6-9/h2-7H,1H3,(H,16,17)
InChIKey
PLPFFNBQLCHDKH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
14
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
70.2
TPSA
54.6
LogP / Solubility
WLOGP
3.07
MLOGP
2.71
XLogP3
3.8
Consensus LogP
3.19
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12
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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