[email protected]
CAS 130369-04-9 Carbamic acid, (3-methylenecyclobutyl)-, 1,1-dimethylethyl ester (9CI) molecular structure lightbox
CAS RN: 130369-04-9

Carbamic acid, (3-methylenecyclobutyl)-, 1,1-dimethylethyl ester (9CI)

  • Product code: SSC-036978
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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 130369-04-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g >97% 1 In Stock Beijing Inquiry
5g >97% 1 In Stock Hong Kong Inquiry
10g >97% 1 In Stock Shanghai Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry

130369-04-9 / tert-butyl N-(3-methylidenecyclobutyl)carbamate

Standard CAS: 130369-04-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
130369-04-9
Multi CAS
No
Molecular Formula
C10H17NO2
Molecular Weight
183.250000
Exact Mass
183.125929
SMILES
CC(C)(C)OC(=O)NC1CC(=C)C1
InChI
InChI=1S/C10H17NO2/c1-7-5-8(6-7)11-9(12)13-10(2,3)4/h8H,1,5-6H2,2-4H3,(H,11,12)
InChIKey
UKVCZCZNTKQCCW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.7
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.53
TPSA
38.33

LogP / Solubility

WLOGP
2.23
MLOGP
1.96
XLogP3
1.8
Consensus LogP
2
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P273, P391, and P501

Customers Also Viewed

Get In Touch

Contact Us