![CAS 852388-72-8 5-(3-CHLOROPHENYL)-2-PIPERIDIN-1-YL[1,3]THIAZOLO[4,5-B]PYRIDINE-7-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB0293152.gif)
CAS RN: 852388-72-8
5-(3-CHLOROPHENYL)-2-PIPERIDIN-1-YL[1,3]THIAZOLO[4,5-B]PYRIDINE-7-CARBOXYLIC ACID
- Product code: SSC-193523
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 |
852388-72-8 / 5-(3-chlorophenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid
Basic Information
CAS
852388-72-8
Multi CAS
No
Molecular Formula
C18H16CLN3O2S
Molecular Weight
373.900000
Exact Mass
373.065176
InChI
InChI=1S/C18H16ClN3O2S/c19-12-6-4-5-11(9-12)14-10-13(17(23)24)15-16(20-14)21-18(25-15)22-7-2-1-3-8-22/h4-6,9-10H,1-3,7-8H2,(H,23,24)
InChIKey
NQUARGOVHABFHH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.28
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
100.88
TPSA
66.32
LogP / Solubility
WLOGP
4.7
MLOGP
4.16
XLogP3
4.8
Consensus LogP
4.55
Log S (ESOL)
-5.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.35
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
Yes
Log Kp (skin permeation)
-1.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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