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CAS 127-71-9 Sulfabenzamide molecular structure lightbox
CAS RN: 127-71-9

Sulfabenzamide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260213 250mg In stock Inquiry
  • Product code: SSC-034384
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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: 25g
  • 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 127-71-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

127-71-9 / N-(4-aminophenyl)sulfonylbenzamide

Standard CAS: 127-71-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
127-71-9
Multi CAS
No
Molecular Formula
C13H12N2O3S
Molecular Weight
276.310000
Exact Mass
276.056863
SMILES
C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H12N2O3S/c14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)
InChIKey
PBCZLFBEBARBBI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
71.95
TPSA
89.26

LogP / Solubility

WLOGP
1.39
MLOGP
1.23
XLogP3
0.7
Consensus LogP
1.11
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
Class (SILICOS-IT)
Moderately 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)
-3.42

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264+P265, P271, P280, P304+P340, P305+P351+P338, P319, P337+P317, P403+P233, P405, and P501

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