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CAS 217798-66-8 4-AMINO-N-BUTYL-N-METHYLBENZENESULFONAMIDE molecular structure lightbox
CAS RN: 217798-66-8

4-AMINO-N-BUTYL-N-METHYLBENZENESULFONAMIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260326 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-105126
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 217798-66-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

217798-66-8 / 4-amino-N-butyl-N-methylbenzenesulfonamide

Standard CAS: 217798-66-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
217798-66-8
Multi CAS
No
Molecular Formula
C11H18N2O2S
Molecular Weight
242.340000
Exact Mass
242.108899
SMILES
CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C11H18N2O2S/c1-3-4-9-13(2)16(14,15)11-7-5-10(12)6-8-11/h5-8H,3-4,9,12H2,1-2H3
InChIKey
JHLGCVXRTFDKOD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.58
TPSA
63.4

LogP / Solubility

WLOGP
1.69
MLOGP
1.49
XLogP3
1.6
Consensus LogP
1.59
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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