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CAS 59777-72-9 Ethyl 2-sulfamoylbenzoate molecular structure lightbox
CAS RN: 59777-72-9

Ethyl 2-sulfamoylbenzoate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251015 5g / 25g / 100g / 500g Confirm by inquiry Shandong, Hebei, Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS59777-72-9
  • Purity/Analytical Methods: >99.0%
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59777-72-9 / ethyl 3-sulfamoylbenzoate

Standard CAS: 59777-72-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59777-72-9
Multi CAS
Yes
Molecular Formula
C9H11NO4S
Molecular Weight
229.260000
Exact Mass
229.040879
InChI
InChI=1S/C9H11NO4S/c1-2-14-9(11)7-5-3-4-6-8(7)15(10,12)13/h3-6H,2H2,1H3,(H2,10,12,13)
InChIKey
CYFKZTWSLPKROH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.77
TPSA
86.46

LogP / Solubility

WLOGP
0.51
MLOGP
0.45
XLogP3
0.6
Consensus LogP
0.52
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
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)
-3.76

Drug-likeness / Medicinal Chemistry

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

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