![CAS 338756-06-2 Methyl 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yloxy]thiophene-2-carboxylate 97% molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB72559592(1).gif)
CAS RN: 338756-06-2
Methyl 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yloxy]thiophene-2-carboxylate 97%
- Product code: SSC-140038
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 |
338756-06-2 / methyl 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]thiophene-2-carboxylate
Basic Information
CAS
338756-06-2
Multi CAS
No
Molecular Formula
C12H7CLF3NO3S
Molecular Weight
337.700000
Exact Mass
336.978726
InChI
InChI=1S/C12H7ClF3NO3S/c1-19-11(18)9-8(2-3-21-9)20-10-7(13)4-6(5-17-10)12(14,15)16/h2-5H,1H3
InChIKey
ZMNRQFRVQOIYPF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
69.98
TPSA
48.42
LogP / Solubility
WLOGP
4.39
MLOGP
3.88
XLogP3
4.1
Consensus LogP
4.12
Log S (ESOL)
-4.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.86
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
No
CYP3A4 inhibitor
No
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
2.5
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