[email protected]
CAS 1245647-95-3 tert-butyl 2-bromothiazol-4-ylcarbamate molecular structure lightbox
CAS RN: 1245647-95-3

tert-butyl 2-bromothiazol-4-ylcarbamate

  • Product code: SSC-028480
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, 25g, 0.1g, 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 1245647-95-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 5 In Stock Shanghai Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 5 In Stock Shanghai Inquiry
10g >97% 5 In Stock Beijing Inquiry
25g >97% 3 In Stock Shenzhen Inquiry
0.1g >97% 2 In Stock Shenzhen Inquiry
100g >97% 0 Out of Stock Shanghai Inquiry

1245647-95-3 / tert-butyl N-(2-bromo-1,3-thiazol-4-yl)carbamate

Standard CAS: 1245647-95-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1245647-95-3
Multi CAS
No
Molecular Formula
C8H11BrN2O2S
Molecular Weight
279.160000
Exact Mass
277.972460
SMILES
CC(C)(C)OC(=O)NC1=CSC(=N1)Br
InChI
InChI=1S/C8H11BrN2O2S/c1-8(2,3)13-7(12)11-5-4-14-6(9)10-5/h4H,1-3H3,(H,11,12)
InChIKey
DWCKSUYBQZIMIG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.67
TPSA
51.22

LogP / Solubility

WLOGP
3.25
MLOGP
2.87
XLogP3
2.9
Consensus LogP
3.01
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.29
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.11

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us