![CAS 351003-40-2 4H-[1]-BENZOPYRANO[4 3-B]THIOPHENE-2-CA& molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/351003-40-2.gif)
CAS RN: 351003-40-2
4H-[1]-BENZOPYRANO[4 3-B]THIOPHENE-2-CA&
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260326 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS351003-40-2
- Purity/Analytical Methods: >99.0%
351003-40-2 / 4H-thieno[3,2-c]chromene-2-carbohydrazide
Basic Information
CAS
351003-40-2
Multi CAS
No
Molecular Formula
C12H10N2O2S
Molecular Weight
246.290000
Exact Mass
246.046299
InChI
InChI=1S/C12H10N2O2S/c13-14-12(15)10-5-7-6-16-9-4-2-1-3-8(9)11(7)17-10/h1-5H,6,13H2,(H,14,15)
InChIKey
BYNAEHIZFMTJEU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
65.74
TPSA
64.35
LogP / Solubility
WLOGP
1.91
MLOGP
1.69
XLogP3
1.7
Consensus LogP
1.77
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87
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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