![CAS 39244-08-1 3-CHLOROTHIENO[2,3-B]THIOPHENE-2-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/39244-08-1.gif)
CAS RN: 39244-08-1
3-CHLOROTHIENO[2,3-B]THIOPHENE-2-CARBOXYLIC ACID
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250501 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS39244-08-1
- Purity/Analytical Methods: >99.0%
39244-08-1 / 4-chlorothieno[2,3-b]thiophene-5-carboxylic acid
Basic Information
CAS
39244-08-1
Multi CAS
No
Molecular Formula
C7H3CLO2S2
Molecular Weight
218.700000
Exact Mass
217.926299
InChI
InChI=1S/C7H3ClO2S2/c8-4-3-1-2-11-7(3)12-5(4)6(9)10/h1-2H,(H,9,10)
InChIKey
GCQFYYGUNYJMNY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.67
TPSA
37.3
LogP / Solubility
WLOGP
3.31
MLOGP
2.92
XLogP3
3.4
Consensus LogP
3.21
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
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)
-1.7
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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- Product Code: starshine_CAS39251-88-2
- Purity/Analytical method: >99.0%
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