![CAS 53885-64-6 5-(2-Chlorobenzyl)-thieno[3,2-c]pyridiniuM Chloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/53885-64-6.gif)
CAS RN: 53885-64-6
5-(2-Chlorobenzyl)-thieno[3,2-c]pyridiniuM Chloride
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250930 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS53885-64-6
- Purity/Analytical Methods: >99.0%
53885-64-6 / 5-[(2-chlorophenyl)methyl]thieno[3,2-c]pyridin-5-ium chloride
Basic Information
CAS
53885-64-6
Multi CAS
No
Molecular Formula
C14H11CL2NS
Molecular Weight
296.200000
Exact Mass
294.998926
InChI
InChI=1S/C14H11ClNS.ClH/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14;/h1-8,10H,9H2;1H/q+1;/p-1
InChIKey
MIKRQGCVDHVAHS-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
72.57
TPSA
3.88
LogP / Solubility
WLOGP
0.89
MLOGP
0.8
XLogP3
0.89
Consensus LogP
0.86
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.89
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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