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CAS 89840-80-2 4-Nitro-benzenesulfonic acid isobutylamide molecular structure lightbox
CAS RN: 89840-80-2

4-Nitro-benzenesulfonic acid isobutylamide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250506 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-201923
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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 89840-80-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

89840-80-2 / N-(2-methylpropyl)-4-nitrobenzenesulfonamide

Standard CAS: 89840-80-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89840-80-2
Multi CAS
No
Molecular Formula
C10H14N2O4S
Molecular Weight
258.300000
Exact Mass
258.067428
InChI
InChI=1S/C10H14N2O4S/c1-8(2)7-11-17(15,16)10-5-3-9(4-6-10)12(13)14/h3-6,8,11H,7H2,1-2H3
InChIKey
QIEVLZQUEZLVSY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.12
TPSA
89.31

LogP / Solubility

WLOGP
1.53
MLOGP
1.35
XLogP3
2
Consensus LogP
1.63
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.21

Drug-likeness / Medicinal Chemistry

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

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