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CAS 179898-63-6 tert-butyl 2,2,4,8-tetraMethyl-1,2,3,4-tetrahydroquinolin-7-ylcarbaMate molecular structure lightbox
CAS RN: 179898-63-6

tert-butyl 2,2,4,8-tetraMethyl-1,2,3,4-tetrahydroquinolin-7-ylcarbaMate

  • Product code: SSC-080240
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 179898-63-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

179898-63-6 / tert-butyl N-(2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-7-yl)carbamate

Standard CAS: 179898-63-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
179898-63-6
Multi CAS
No
Molecular Formula
C18H28N2O2
Molecular Weight
304.400000
Exact Mass
304.215078
SMILES
CC1CC(NC2=C1C=CC(=C2C)NC(=O)OC(C)(C)C)(C)C
InChI
InChI=1S/C18H28N2O2/c1-11-10-18(6,7)20-15-12(2)14(9-8-13(11)15)19-16(21)22-17(3,4)5/h8-9,11,20H,10H2,1-7H3,(H,19,21)
InChIKey
FWSBNUWRCPTIGS-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
H-bond donors
2
Molar refractivity
91.77
TPSA
50.36

LogP / Solubility

WLOGP
5.04
MLOGP
4.45
XLogP3
4.2
Consensus LogP
4.56
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.94
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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