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CAS 34121-17-0 2-amino-4-chloro-5-sulphamoylbenzamide molecular structure lightbox
CAS RN: 34121-17-0

2-amino-4-chloro-5-sulphamoylbenzamide

  • Product code: SSC-140357
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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 34121-17-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

34121-17-0 / 2-amino-4-chloro-5-sulfamoylbenzamide

Standard CAS: 34121-17-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34121-17-0
Multi CAS
Yes
Molecular Formula
C7H8CLN3O3S
Molecular Weight
249.680000
Exact Mass
248.997490
InChI
InChI=1S/C7H8ClN3O3S/c8-4-2-5(9)3(7(10)12)1-6(4)15(11,13)14/h1-2H,9H2,(H2,10,12)(H2,11,13,14)
InChIKey
YZVLDYQGTHLMDZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
55.76
TPSA
129.27

LogP / Solubility

WLOGP
-0.33
MLOGP
-0.29
XLogP3
-0.1
Consensus LogP
-0.24
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.48

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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