![CAS 1315360-86-1 3-bromo-7-chlorothieno[2,3-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1315360-86-1.gif)
CAS RN: 1315360-86-1
3-bromo-7-chlorothieno[2,3-c]pyridine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260127 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1315360-86-1
- Purity/Analytical Methods: >99.0%
1315360-86-1 / 3-bromo-7-chlorothieno[2,3-c]pyridine
Basic Information
CAS
1315360-86-1
Multi CAS
No
Molecular Formula
C7H3BrClNS
Molecular Weight
248.530000
Exact Mass
246.885810
SMILES
C1=CN=C(C2=C1C(=CS2)Br)Cl
InChI
InChI=1S/C7H3BrClNS/c8-5-3-11-6-4(5)1-2-10-7(6)9/h1-3H
InChIKey
SJCZRKWLMNKKIP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
52.33
TPSA
12.89
LogP / Solubility
WLOGP
3.71
MLOGP
3.27
XLogP3
3.5
Consensus LogP
3.49
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.6
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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