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CAS 729578-90-9 5-AMINO-N-(4-CHLORO-PHENYL)-2-METHOXY-BENZENESULFONAMIDE molecular structure lightbox
CAS RN: 729578-90-9

5-AMINO-N-(4-CHLORO-PHENYL)-2-METHOXY-BENZENESULFONAMIDE

  • Product code: SSC-182416
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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 729578-90-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

729578-90-9 / 5-amino-N-(4-chlorophenyl)-2-methoxybenzenesulfonamide

Standard CAS: 729578-90-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
729578-90-9
Multi CAS
No
Molecular Formula
C13H13CLN2O3S
Molecular Weight
312.770000
Exact Mass
312.033541
InChI
InChI=1S/C13H13ClN2O3S/c1-19-12-7-4-10(15)8-13(12)20(17,18)16-11-5-2-9(14)3-6-11/h2-8,16H,15H2,1H3
InChIKey
MBEIPMUAHISZTR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
79.67
TPSA
81.42

LogP / Solubility

WLOGP
2.73
MLOGP
2.42
XLogP3
2.4
Consensus LogP
2.52
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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