![CAS 255378-11-1 METHYL 8-CHLORO-4H-BENZO[B]THIENO[2,3-D]THIINE-2-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/255378-11-1.gif)
CAS RN: 255378-11-1
METHYL 8-CHLORO-4H-BENZO[B]THIENO[2,3-D]THIINE-2-CARBOXYLATE
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.20260322 | 5mg / 25mg / 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS255378-11-1
- Purity/Analytical Methods: >99.0%
255378-11-1 / methyl 8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxylate
Basic Information
CAS
255378-11-1
Multi CAS
No
Molecular Formula
C13H9ClO2S2
Molecular Weight
296.800000
Exact Mass
295.973250
InChI
InChI=1S/C13H9ClO2S2/c1-16-13(15)11-4-7-6-17-10-3-2-8(14)5-9(10)12(7)18-11/h2-5H,6H2,1H3
InChIKey
IOVNZFAPLKNBHT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.15
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
75.67
TPSA
26.3
LogP / Solubility
WLOGP
4.46
MLOGP
3.94
XLogP3
4.2
Consensus LogP
4.2
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
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)
-1.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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