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CAS RN: 17595-92-5
2-(2-METHOXYPHENYL)THIOPHENE
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.20250508 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS17595-92-5
- Purity/Analytical Methods: >99.0%
17595-92-5 / 2-(2-methoxyphenyl)thiophene
Basic Information
CAS
17595-92-5
Multi CAS
No
Molecular Formula
C11H10OS
Molecular Weight
190.260000
Exact Mass
190.045236
SMILES
COC1=CC=CC=C1C2=CC=CS2
InChI
InChI=1S/C11H10OS/c1-12-10-6-3-2-5-9(10)11-7-4-8-13-11/h2-8H,1H3
InChIKey
QRNCSFYYBGVITK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
56.31
TPSA
9.23
LogP / Solubility
WLOGP
3.42
MLOGP
3.01
XLogP3
3.2
Consensus LogP
3.21
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
Class (SILICOS-IT)
Poorly 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)
-1.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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