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CAS 195199-95-2 3-METHYL-N-[(1R)-1-METHYL-3-(4-METHYL-1-PIPERIDINYL)PROPYL]-N-METHYLBENZENESULFONAMIDE HYDROCHLORIDE molecular structure lightbox
CAS RN: 195199-95-2

3-METHYL-N-[(1R)-1-METHYL-3-(4-METHYL-1-PIPERIDINYL)PROPYL]-N-METHYLBENZENESULFONAMIDE HYDROCHLORIDE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250325 5mg / 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS195199-95-2
  • Purity/Analytical Methods: >99.0%
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195199-95-2 / N,3-dimethyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide

Standard CAS: 195199-95-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
195199-95-2
Multi CAS
No
Molecular Formula
C18H30N2O2S
Molecular Weight
338.500000
Exact Mass
338.202799
SMILES
CC1CCN(CC1)CC[C@@H](C)N(C)S(=O)(=O)C2=CC=CC(=C2)C
InChI
InChI=1S/C18H30N2O2S/c1-15-8-11-20(12-9-15)13-10-17(3)19(4)23(21,22)18-7-5-6-16(2)14-18/h5-7,14-15,17H,8-13H2,1-4H3/t17-/m1/s1
InChIKey
AGVNHDNTFYHZNL-QGZVFWFLSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
95.04
TPSA
40.62

LogP / Solubility

WLOGP
3.13
MLOGP
2.77
XLogP3
3.5
Consensus LogP
3.13
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.17
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)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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