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CAS 46376-16-3 PHENYLSULFONYL-SAR-OH molecular structure lightbox
CAS RN: 46376-16-3

PHENYLSULFONYL-SAR-OH

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260126 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS46376-16-3
  • Purity/Analytical Methods: >99.0%
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46376-16-3 / 2-[benzenesulfonyl(methyl)amino]acetic acid

Standard CAS: 46376-16-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
46376-16-3
Multi CAS
Yes
Molecular Formula
C9H11NO4S
Molecular Weight
229.260000
Exact Mass
229.040879
InChI
InChI=1S/C9H11NO4S/c1-10(7-9(11)12)15(13,14)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,12)
InChIKey
XQGWHYCLQRSQSQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.89
TPSA
74.68

LogP / Solubility

WLOGP
0.39
MLOGP
0.35
XLogP3
0.7
Consensus LogP
0.48
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.84

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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