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CAS 885270-09-7 Tert-butyl indolin-6-yl-carbamate molecular structure lightbox
CAS RN: 885270-09-7

Tert-butyl indolin-6-yl-carbamate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250728 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS885270-09-7
  • Purity/Analytical Methods: >99.0%
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885270-09-7 / tert-butyl N-(2,3-dihydro-1H-indol-6-yl)carbamate

Standard CAS: 885270-09-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
885270-09-7
Multi CAS
No
Molecular Formula
C13H18N2O2
Molecular Weight
234.290000
Exact Mass
234.136828
InChI
InChI=1S/C13H18N2O2/c1-13(2,3)17-12(16)15-10-5-4-9-6-7-14-11(9)8-10/h4-5,8,14H,6-7H2,1-3H3,(H,15,16)
InChIKey
VWVPSFNYFXGUHV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
68.49
TPSA
50.36

LogP / Solubility

WLOGP
3
MLOGP
2.65
XLogP3
2.7
Consensus LogP
2.78
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
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)
-2.02

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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