CAS RN: 190967-35-2
RWJ 63556
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.20251102 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS190967-35-2
- Purity/Analytical Methods: >99.0%
190967-35-2 / N-[5-(4-fluorophenoxy)thiophen-2-yl]methanesulfonamide
Basic Information
CAS
190967-35-2
Multi CAS
No
Molecular Formula
C11H10FNO3S2
Molecular Weight
287.300000
Exact Mass
287.008614
SMILES
CS(=O)(=O)NC1=CC=C(S1)OC2=CC=C(C=C2)F
InChI
InChI=1S/C11H10FNO3S2/c1-18(14,15)13-10-6-7-11(17-10)16-9-4-2-8(12)3-5-9/h2-7,13H,1H3
InChIKey
BEIZIEZPGSIQGR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
69.26
TPSA
55.4
LogP / Solubility
WLOGP
3.05
MLOGP
2.7
XLogP3
2.9
Consensus LogP
2.88
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31
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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