[email protected]
CAS 847199-90-0 (R)-tert-butyl (1-(1H-indol-3-yl)propan-2-yl)carbamate molecular structure lightbox
CAS RN: 847199-90-0

(R)-tert-butyl (1-(1H-indol-3-yl)propan-2-yl)carbamate

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250327 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-192282
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 847199-90-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Beijing Inquiry
5g >95% 1 In Stock Hong Kong Inquiry

847199-90-0 / tert-butyl N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]carbamate

Standard CAS: 847199-90-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
847199-90-0
Multi CAS
Yes
Molecular Formula
C16H22N2O2
Molecular Weight
274.360000
Exact Mass
274.168128
InChI
InChI=1S/C16H22N2O2/c1-11(18-15(19)20-16(2,3)4)9-12-10-17-14-8-6-5-7-13(12)14/h5-8,10-11,17H,9H2,1-4H3,(H,18,19)/t11-/m1/s1
InChIKey
XRRYOHBVVKHARG-LLVKDONJSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
80.83
TPSA
54.12

LogP / Solubility

WLOGP
3.62
MLOGP
3.2
XLogP3
3.6
Consensus LogP
3.47
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.81
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.82

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us