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CAS 91281-32-2 N-ACETYL-4-S-CYSTEAMINYLPHENOL molecular structure lightbox
CAS RN: 91281-32-2

N-ACETYL-4-S-CYSTEAMINYLPHENOL

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260512 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250921 100mg In stock Tianjin Inquiry
Batchno.20250216 1g In stock Shenzhen, Tianjin Inquiry
Batchno.20260414 250mg In stock Shenzhen, Tianjin Inquiry
Batchno.20260317 5g Out of stock Inquiry
  • Product code: starshine_CAS91281-32-2
  • Purity/Analytical Methods: >99.0%
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91281-32-2 / N-[2-(4-hydroxyphenyl)sulfanylethyl]acetamide

Standard CAS: 91281-32-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
91281-32-2
Multi CAS
Yes
Molecular Formula
C10H13NO2S
Molecular Weight
211.280000
Exact Mass
211.066700
InChI
InChI=1S/C10H13NO2S/c1-8(12)11-6-7-14-10-4-2-9(13)3-5-10/h2-5,13H,6-7H2,1H3,(H,11,12)
InChIKey
FDPFDQAWKAWHMY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.51
TPSA
49.33

LogP / Solubility

WLOGP
1.62
MLOGP
1.43
XLogP3
1.4
Consensus LogP
1.48
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
Class (SILICOS-IT)
Moderately 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)
-2.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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