![CAS 93100-99-3 BenzenesulfonaMide, 4-chloro-N-[1-(2-phenylethyl)-2-piperidinylidene]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/93100-99-3.gif)
CAS RN: 93100-99-3
BenzenesulfonaMide, 4-chloro-N-[1-(2-phenylethyl)-2-piperidinylidene]-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260119 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS93100-99-3
- Purity/Analytical Methods: >99.0%
93100-99-3 / (NE)-4-chloro-N-[1-(2-phenylethyl)piperidin-2-ylidene]benzenesulfonamide
Basic Information
CAS
93100-99-3
Multi CAS
Yes
Molecular Formula
C19H21CLN2O2S
Molecular Weight
376.900000
Exact Mass
376.101227
InChI
InChI=1S/C19H21ClN2O2S/c20-17-9-11-18(12-10-17)25(23,24)21-19-8-4-5-14-22(19)15-13-16-6-2-1-3-7-16/h1-3,6-7,9-12H,4-5,8,13-15H2
InChIKey
VJHXSSVOCOBVMI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
101.64
TPSA
49.74
LogP / Solubility
WLOGP
4.16
MLOGP
3.68
XLogP3
4.1
Consensus LogP
3.98
Log S (ESOL)
-4.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.16
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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