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CAS 1199215-71-8 carbamic acid, 1H-indol-3-yl-, 1,1-dimethylethyl ester molecular structure lightbox
CAS RN: 1199215-71-8

carbamic acid, 1H-indol-3-yl-, 1,1-dimethylethyl ester

  • Product code: SSC-020706
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 8
  • Bulk packaging: confirmed by inquiry
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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 1199215-71-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 2 In Stock Hong Kong Inquiry
0.1g ≥95% 2 In Stock Hong Kong Inquiry
0.25g -- 2 In Stock Beijing Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry
1g -- 1 In Stock Hong Kong Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry
5g -- 1 In Stock Hong Kong Inquiry
5g ≥95% 1 In Stock Hong Kong Inquiry

1199215-71-8 / tert-butyl N-(1H-indol-3-yl)carbamate

tert-butyl N-(1H-indol-3-yl)carbamate | DTXSID001264910 | 1,1-Dimethylethyl N-1H-indol-3-ylcarbamate

Standard CAS: 1199215-71-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1199215-71-8
Multi CAS
Yes
Molecular Formula
C13H16N2O2
Molecular Weight
232.280000
Exact Mass
232.121178
SMILES
CC(C)(C)OC(=O)NC1=CNC2=CC=CC=C21
InChI
InChI=1S/C13H16N2O2/c1-13(2,3)17-12(16)15-11-8-14-10-7-5-4-6-9(10)11/h4-8,14H,1-3H3,(H,15,16)
InChIKey
YIFUEEQYEIDYGJ-UHFFFAOYSA-N
Synonyms
tert-butyl N-(1H-indol-3-yl)carbamate DTXSID001264910 1,1-Dimethylethyl N-1H-indol-3-ylcarbamate RefChem:410233 DTXCID501695574

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
68.16
TPSA
54.12

LogP / Solubility

WLOGP
3.51
MLOGP
3.1
XLogP3
2.6
Consensus LogP
3.07
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.21
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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