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CAS 313952-36-2 Acetamide, N-[(1R,2S)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]- (9CI) molecular structure lightbox
CAS RN: 313952-36-2

Acetamide, N-[(1R,2S)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]- (9CI)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251015 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS313952-36-2
  • Purity/Analytical Methods: >99.0%
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313952-36-2 / N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide

Standard CAS: 313952-36-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
313952-36-2
Multi CAS
Yes
Molecular Formula
C11H13NO2
Molecular Weight
191.230000
Exact Mass
191.094629
InChI
InChI=1S/C11H13NO2/c1-7(13)12-11-9-5-3-2-4-8(9)6-10(11)14/h2-5,10-11,14H,6H2,1H3,(H,12,13)/t10-,11+/m0/s1
InChIKey
XDFQDTUZWKSCIR-WDEREUQCSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.71
TPSA
49.33

LogP / Solubility

WLOGP
0.78
MLOGP
0.69
XLogP3
0.5
Consensus LogP
0.66
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
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)
-3.33

Drug-likeness / Medicinal Chemistry

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

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