![CAS 2418670-70-7 1,4-Benzenedisulfonamide, N4-[3-chloro-2-(1-piperidinyl)phenyl]-N1,N1-dimethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2418670-70-7.gif)
CAS RN: 2418670-70-7
1,4-Benzenedisulfonamide, N4-[3-chloro-2-(1-piperidinyl)phenyl]-N1,N1-dimethyl-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251225 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-118183
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.1g, 0.25g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
2418670-70-7 / 1-N-(3-chloro-2-piperidin-1-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-disulfonamide
Basic Information
CAS
2418670-70-7
Multi CAS
No
Molecular Formula
C19H24ClN3O4S2
Molecular Weight
458.000000
Exact Mass
457.089676
SMILES
CN(C)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=CC=C2)Cl)N3CCCCC3
InChI
InChI=1S/C19H24ClN3O4S2/c1-22(2)29(26,27)16-11-9-15(10-12-16)28(24,25)21-18-8-6-7-17(20)19(18)23-13-4-3-5-14-23/h6-12,21H,3-5,13-14H2,1-2H3
InChIKey
YPPWKTIVYUTTEH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
115.64
TPSA
86.79
LogP / Solubility
WLOGP
3.38
MLOGP
3.01
XLogP3
3.2
Consensus LogP
3.2
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.76
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
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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