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CAS 32643-00-8 butyl 3-aminosulphonyl-5-butylamino-4-phenoxybenzoate molecular structure lightbox
CAS RN: 32643-00-8

butyl 3-aminosulphonyl-5-butylamino-4-phenoxybenzoate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250319 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS32643-00-8
  • Purity/Analytical Methods: >99.0%
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32643-00-8 / butyl 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoate

Standard CAS: 32643-00-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
32643-00-8
Multi CAS
Yes
Molecular Formula
C21H28N2O5S
Molecular Weight
420.500000
Exact Mass
420.171893
InChI
InChI=1S/C21H28N2O5S/c1-3-5-12-23-18-14-16(21(24)27-13-6-4-2)15-19(29(22,25)26)20(18)28-17-10-8-7-9-11-17/h7-11,14-15,23H,3-6,12-13H2,1-2H3,(H2,22,25,26)
InChIKey
FUBXAOXPLXHBPG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
11
H-bond acceptors
6
H-bond donors
2
Molar refractivity
112.92
TPSA
107.72

LogP / Solubility

WLOGP
4.3
MLOGP
3.81
XLogP3
4.4
Consensus LogP
4.17
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.28
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-2.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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