![CAS 2092325-80-7 Methyl 7-bromothieno[2,3-c]pyridine-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/2092325-80-7.png)
CAS RN: 2092325-80-7
Methyl 7-bromothieno[2,3-c]pyridine-2-carboxylate
- Product code: SSC-098946
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 |
2092325-80-7 / methyl 7-bromothieno[2,3-c]pyridine-2-carboxylate
Basic Information
CAS
2092325-80-7
Multi CAS
No
Molecular Formula
C9H6BrNO2S
Molecular Weight
272.120000
Exact Mass
270.930260
SMILES
COC(=O)C1=CC2=C(S1)C(=NC=C2)Br
InChI
InChI=1S/C9H6BrNO2S/c1-13-9(12)6-4-5-2-3-11-8(10)7(5)14-6/h2-4H,1H3
InChIKey
PRMIUGHOOWSSTD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
58.66
TPSA
39.19
LogP / Solubility
WLOGP
2.85
MLOGP
2.51
XLogP3
3.1
Consensus LogP
2.82
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
Class (SILICOS-IT)
Poorly 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)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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