[email protected]
CAS 400828-91-3 tert-butyl 4-(indolin-1-yl)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 400828-91-3

tert-butyl 4-(indolin-1-yl)piperidine-1-carboxylate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260521 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS400828-91-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

400828-91-3 / tert-butyl 4-(2,3-dihydroindol-1-yl)piperidine-1-carboxylate

Standard CAS: 400828-91-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
400828-91-3
Multi CAS
No
Molecular Formula
C18H26N2O2
Molecular Weight
302.400000
Exact Mass
302.199428
InChI
InChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)19-11-9-15(10-12-19)20-13-8-14-6-4-5-7-16(14)20/h4-7,15H,8-13H2,1-3H3
InChIKey
OMLPYERPOKFBHW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
88.32
TPSA
32.78

LogP / Solubility

WLOGP
3.45
MLOGP
3.05
XLogP3
3.5
Consensus LogP
3.33
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us