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CAS 947674-87-5 N-[(1R)-2,3-Dihydro-6-hydroxy-1H-inden-1-yl]carbamic acid tert-butyl ester molecular structure lightbox
CAS RN: 947674-87-5

N-[(1R)-2,3-Dihydro-6-hydroxy-1H-inden-1-yl]carbamic acid tert-butyl ester

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251221 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS947674-87-5
  • Purity/Analytical Methods: >99.0%
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947674-87-5 / tert-butyl N-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate

Standard CAS: 947674-87-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
947674-87-5
Multi CAS
Yes
Molecular Formula
C14H19NO3
Molecular Weight
249.300000
Exact Mass
249.136493
InChI
InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-12-7-5-9-4-6-10(16)8-11(9)12/h4,6,8,12,16H,5,7H2,1-3H3,(H,15,17)/t12-/m1/s1
InChIKey
HWLAUUTUIGOWAB-GFCCVEGCSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
68.54
TPSA
58.56

LogP / Solubility

WLOGP
2.9
MLOGP
2.56
XLogP3
2.5
Consensus LogP
2.65
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly 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)
-2.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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