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CAS 59724-57-1 4-Chloro-N-(2-hydroxy-1,1-diMethylethyl)benzenesulfonaMide molecular structure lightbox
CAS RN: 59724-57-1

4-Chloro-N-(2-hydroxy-1,1-diMethylethyl)benzenesulfonaMide

  • Product code: SSC-168256
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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: 0.25g, 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 59724-57-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

59724-57-1 / 4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide

Standard CAS: 59724-57-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59724-57-1
Multi CAS
No
Molecular Formula
C10H14CLNO3S
Molecular Weight
263.740000
Exact Mass
263.038292
InChI
InChI=1S/C10H14ClNO3S/c1-10(2,7-13)12-16(14,15)9-5-3-8(11)4-6-9/h3-6,12-13H,7H2,1-2H3
InChIKey
NGHRDVCMEMQKID-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.94
TPSA
66.4

LogP / Solubility

WLOGP
1.39
MLOGP
1.23
XLogP3
1.4
Consensus LogP
1.34
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.34

Drug-likeness / Medicinal Chemistry

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

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