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CAS 5339-59-3 N,N-DIBUTYLBENZENESULFONAMIDE molecular structure lightbox
CAS RN: 5339-59-3

N,N-DIBUTYLBENZENESULFONAMIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260115 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-160709
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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: 5g
  • Available purity: ＞97%
  • 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 5339-59-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

5339-59-3 / N,N-dibutylbenzenesulfonamide

Standard CAS: 5339-59-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5339-59-3
Multi CAS
Yes
Molecular Formula
C14H23NO2S
Molecular Weight
269.400000
Exact Mass
269.144950
InChI
InChI=1S/C14H23NO2S/c1-3-5-12-15(13-6-4-2)18(16,17)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3
InChIKey
YKXINVWHNNYQMA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
75.02
TPSA
37.38

LogP / Solubility

WLOGP
3.28
MLOGP
2.89
XLogP3
4.4
Consensus LogP
3.52
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly 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)
-2.04

Drug-likeness / Medicinal Chemistry

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

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