CAS RN: 565172-42-1
2-FLUORO-N-(4-HYDROXY-PHENYL)-N-METHYL-BENZENESULFONAMIDE
- Product code: SSC-164488
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
565172-42-1 / 2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
Basic Information
CAS
565172-42-1
Multi CAS
No
Molecular Formula
C13FH12NO3S
Molecular Weight
281.300000
Exact Mass
281.052193
InChI
InChI=1S/C13H12FNO3S/c1-15(10-6-8-11(16)9-7-10)19(17,18)13-5-3-2-4-12(13)14/h2-9,16H,1H3
InChIKey
AZGSGUOTLVNEGI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
70.1
TPSA
57.61
LogP / Solubility
WLOGP
2.36
MLOGP
2.08
XLogP3
2.4
Consensus LogP
2.28
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
Class (SILICOS-IT)
Poorly 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)
-2.76
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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