CAS RN: 878466-29-6
3-(MORPHOLIN-4-YLSULFONYL)THIOPHENE-2-CARBOXYLIC ACID
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.20260423 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS878466-29-6
- Purity/Analytical Methods: >99.0%
878466-29-6 / 3-morpholin-4-ylsulfonylthiophene-2-carboxylic acid
Basic Information
CAS
878466-29-6
Multi CAS
No
Molecular Formula
C9H11NO5S2
Molecular Weight
277.300000
Exact Mass
277.007865
InChI
InChI=1S/C9H11NO5S2/c11-9(12)8-7(1-6-16-8)17(13,14)10-2-4-15-5-3-10/h1,6H,2-5H2,(H,11,12)
InChIKey
VMQOYLZOIIFQBE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
60.86
TPSA
83.91
LogP / Solubility
WLOGP
0.47
MLOGP
0.42
XLogP3
0.2
Consensus LogP
0.36
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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