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Home Other Building Blocks Ro 41-1049 hydrochloride

Ro 41-1049 hydrochloride

CAS No.:
127917-66-2
Catalog Number:
AG009CNQ
Molecular Formula:
C12H13ClFN3OS
Molecular Weight:
301.7675
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$157
- +
10mg
99%
1 week
United States
$207
- +
50mg
99%
1 week
United States
$457
- +
100mg
99%
1 week
United States
$723
- +
Product Description
Catalog Number:
AG009CNQ
Chemical Name:
Ro 41-1049 hydrochloride
CAS Number:
127917-66-2
Molecular Formula:
C12H13ClFN3OS
Molecular Weight:
301.7675
MDL Number:
MFCD00900596
IUPAC Name:
N-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
InChI:
InChI=1S/C12H12FN3OS.ClH/c13-9-3-1-2-8(6-9)11-10(16-7-18-11)12(17)15-5-4-14;/h1-3,6-7H,4-5,14H2,(H,15,17);1H
InChI Key:
RRNSPXUFTKJIEZ-UHFFFAOYSA-N
SMILES:
NCCNC(=O)c1ncsc1c1cccc(c1)F.Cl
UNII:
19Z49HUF4G
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.045g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
301.764g/mol
Monoisotopic Mass:
301.045g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties