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CAS 59210-68-3 4-CHLORO-3-DIETHYLSULFAMOYL-BENZOIC ACID molecular structure lightbox
CAS RN: 59210-68-3

4-CHLORO-3-DIETHYLSULFAMOYL-BENZOIC ACID

  • Product code: SSC-167625
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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 59210-68-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

59210-68-3 / 4-chloro-3-(diethylsulfamoyl)benzoic acid

Standard CAS: 59210-68-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59210-68-3
Multi CAS
No
Molecular Formula
C11H14CLNO4S
Molecular Weight
291.750000
Exact Mass
291.033207
InChI
InChI=1S/C11H14ClNO4S/c1-3-13(4-2)18(16,17)10-7-8(11(14)15)5-6-9(10)12/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKey
OANXBFKRXPGEGI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.52
TPSA
74.68

LogP / Solubility

WLOGP
2.07
MLOGP
1.83
XLogP3
2
Consensus LogP
1.97
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
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)
-3.03

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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