CAS RN: 1185307-93-0
4-((3-(hydroxyMethyl)piperidin-1-yl)Methyl)-N,N-diMethylbenzenesulfonaMide, 98+% C15H24N2O3S, MW: 312.43
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251101 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185307-93-0
- Purity/Analytical Methods: >99.0%
1185307-93-0 / 4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
4-((3-(hydroxymethyl)piperidin-1-yl)methyl)-N,N-dimethylbenzenesulfonamide | 4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide | DTXSID50671380
Basic Information
CAS
1185307-93-0
Multi CAS
No
Molecular Formula
C15H24N2O3S
Molecular Weight
312.400000
Exact Mass
312.150764
SMILES
CN(C)S(=O)(=O)C1=CC=C(C=C1)CN2CCCC(C2)CO
InChI
InChI=1S/C15H24N2O3S/c1-16(2)21(19,20)15-7-5-13(6-8-15)10-17-9-3-4-14(11-17)12-18/h5-8,14,18H,3-4,9-12H2,1-2H3
InChIKey
IJQMEOVWYRVHAF-UHFFFAOYSA-N
Synonyms
4-((3-(hydroxymethyl)piperidin-1-yl)methyl)-N,N-dimethylbenzenesulfonamide
4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
DTXSID50671380
AKOS015941503
4-[[3-(hydroxymethyl)-1-piperidyl]methyl]-N,N-dimethyl-benzenesulfonamide
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
82.4
TPSA
60.85
LogP / Solubility
WLOGP
1.14
MLOGP
1.02
XLogP3
1
Consensus LogP
1.05
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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