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CAS 328027-12-9 N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-(2-methylphenoxy)acetamide molecular structure lightbox
CAS RN: 328027-12-9

N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-(2-methylphenoxy)acetamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260506 10mg / 25mg / 50mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS328027-12-9
  • Purity/Analytical Methods: >99.0%
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328027-12-9 / N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide

Standard CAS: 328027-12-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
328027-12-9
Multi CAS
No
Molecular Formula
C21H22N4O4S
Molecular Weight
426.500000
Exact Mass
426.136176
InChI
InChI=1S/C21H22N4O4S/c1-14-6-4-5-7-19(14)29-13-20(26)24-17-8-10-18(11-9-17)30(27,28)25-21-22-15(2)12-16(3)23-21/h4-12H,13H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKey
LHRCYEYHADVEBT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.19
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
114.06
TPSA
110.28

LogP / Solubility

WLOGP
3.22
MLOGP
2.86
XLogP3
3.1
Consensus LogP
3.06
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.94
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
Yes
Log Kp (skin permeation)
-3.04

Drug-likeness / Medicinal Chemistry

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

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