[email protected]
CAS 1085412-36-7 CarbaMic acid, N-[2-[(2-aMino-4-quinolinyl)oxy]ethyl]-, 1,1-diMethylethyl ester molecular structure lightbox
CAS RN: 1085412-36-7

CarbaMic acid, N-[2-[(2-aMino-4-quinolinyl)oxy]ethyl]-, 1,1-diMethylethyl ester

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250628 100mg In stock Shanghai Inquiry
Batchno.20250412 1g In stock Shanghai Inquiry
Batchno.20251229 250mg In stock Shanghai Inquiry
Batchno.20251027 50mg In stock Shanghai Inquiry
Batchno.20260323 5g In stock Shanghai Inquiry
  • Product code: SSC-009811
GET A QUOTE
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
Request Bulk Quote

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 1085412-36-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1085412-36-7 / tert-butyl N-[2-(2-aminoquinolin-4-yl)oxyethyl]carbamate

tert-Butyl (2-((2-aminoquinolin-4-yl)oxy)ethyl)carbamate | MFCD24466553 | CarbaMic acid, N-[2-[(2-aMino-4-quinolinyl)oxy]ethyl]-, 1,1-diMethylethyl ester

Standard CAS: 1085412-36-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1085412-36-7
Multi CAS
Yes
Molecular Formula
C16H21N3O3
Molecular Weight
303.360000
Exact Mass
303.158292
SMILES
CC(C)(C)OC(=O)NCCOC1=CC(=NC2=CC=CC=C21)N
InChI
InChI=1S/C16H21N3O3/c1-16(2,3)22-15(20)18-8-9-21-13-10-14(17)19-12-7-5-4-6-11(12)13/h4-7,10H,8-9H2,1-3H3,(H2,17,19)(H,18,20)
InChIKey
QZMRBSSSRBBFCU-UHFFFAOYSA-N
Synonyms
tert-Butyl (2-((2-aminoquinolin-4-yl)oxy)ethyl)carbamate MFCD24466553 CarbaMic acid, N-[2-[(2-aMino-4-quinolinyl)oxy]ethyl]-, 1,1-diMethylethyl ester tert-butyl N-[2-(2-aminoquinolin-4-yl)oxyethyl]carbamate TERT-BUTYL 2-(2-AMINOQUINOLIN-4-YLOXY)ETHYLCARBAMATE

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
85.89
TPSA
86.47

LogP / Solubility

WLOGP
2.72
MLOGP
2.41
XLogP3
2.5
Consensus LogP
2.54
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us