![CAS 743444-26-0 2-CHLORO-N-[4-(PIPERIDIN-1-YLSULFONYL)PHENYL]PROPANAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2327354.gif)
CAS RN: 743444-26-0
2-CHLORO-N-[4-(PIPERIDIN-1-YLSULFONYL)PHENYL]PROPANAMIDE
- Product code: SSC-183797
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 |
743444-26-0 / 2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
Basic Information
CAS
743444-26-0
Multi CAS
No
Molecular Formula
C14H19CLN2O3S
Molecular Weight
330.800000
Exact Mass
330.080491
InChI
InChI=1S/C14H19ClN2O3S/c1-11(15)14(18)16-12-5-7-13(8-6-12)21(19,20)17-9-3-2-4-10-17/h5-8,11H,2-4,9-10H2,1H3,(H,16,18)
InChIKey
HMHSTTNHDAJTHF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
83
TPSA
66.48
LogP / Solubility
WLOGP
2.43
MLOGP
2.15
XLogP3
2.1
Consensus LogP
2.23
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.3
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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