[email protected]
CAS 156731-40-7 Carbamic acid, 3-butenyl-, 1,1-dimethylethyl ester (9CI) molecular structure lightbox
CAS RN: 156731-40-7

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

Product Availability

Choose a grade to view its available package options.

7 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250510 100g In stock Shanghai Inquiry
Batchno.20251221 100mg In stock Shanghai Inquiry
Batchno.20250408 10g Out of stock Inquiry
Batchno.20260322 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250803 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260309 25g In stock Shanghai Inquiry
Batchno.20260323 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-065866
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, 10g, 0.1g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 156731-40-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 5 In Stock Shenzhen Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 5 In Stock Shenzhen Inquiry
10g >97% 5 In Stock Shenzhen Inquiry
0.1g >97% 3 In Stock Hong Kong Inquiry
25g >97% 3 In Stock Beijing Inquiry
100g >97% 0 Out of Stock Beijing Inquiry

156731-40-7 / tert-butyl N-but-3-enylcarbamate

Standard CAS: 156731-40-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
156731-40-7
Multi CAS
No
Molecular Formula
C9H17NO2
Molecular Weight
171.240000
Exact Mass
171.125929
SMILES
CC(C)(C)OC(=O)NCCC=C
InChI
InChI=1S/C9H17NO2/c1-5-6-7-10-8(11)12-9(2,3)4/h5H,1,6-7H2,2-4H3,(H,10,11)
InChIKey
YWSXTMBDIBZHBB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.05
TPSA
38.33

LogP / Solubility

WLOGP
2.09
MLOGP
1.83
XLogP3
2
Consensus LogP
1.97
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-2.28

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)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H400 (97.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (97.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P317, P330, P391, and P501

Customers Also Viewed

Get In Touch

Contact Us