CAS RN: 868755-62-8
5-(2-FURYL)THIOPHENE-2-CARBOXYLIC ACID 97
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250801 | 250mg / 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS868755-62-8
- Purity/Analytical Methods: >99.0%
868755-62-8 / 5-(furan-2-yl)thiophene-2-carboxylic acid
Basic Information
CAS
868755-62-8
Multi CAS
No
Molecular Formula
C9H6O3S
Molecular Weight
194.210000
Exact Mass
194.003765
InChI
InChI=1S/C9H6O3S/c10-9(11)8-4-3-7(13-8)6-2-1-5-12-6/h1-5H,(H,10,11)
InChIKey
ZASUJVQPFQRFPQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.98
TPSA
50.44
LogP / Solubility
WLOGP
2.71
MLOGP
2.38
XLogP3
2.2
Consensus LogP
2.43
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
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)
-1.98
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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