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CAS 732291-48-4 ([[4-(METHYLAMINO)-3-NITROPHENYL]SULFONYL]AMINO)ACETIC ACID molecular structure lightbox
CAS RN: 732291-48-4

([[4-(METHYLAMINO)-3-NITROPHENYL]SULFONYL]AMINO)ACETIC ACID

  • Product code: SSC-182703
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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 732291-48-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

732291-48-4 / 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid

Standard CAS: 732291-48-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
732291-48-4
Multi CAS
No
Molecular Formula
C9H11N3O6S
Molecular Weight
289.270000
Exact Mass
289.036856
InChI
InChI=1S/C9H11N3O6S/c1-10-7-3-2-6(4-8(7)12(15)16)19(17,18)11-5-9(13)14/h2-4,10-11H,5H2,1H3,(H,13,14)
InChIKey
FJXVVESVYUZPKO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
3
Molar refractivity
65.47
TPSA
138.64

LogP / Solubility

MLOGP
0.01
XLogP3
0.8
Consensus LogP
0.27
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
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
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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