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ML314

CAS No.:
1448895-09-7
Catalog Number:
AG00ABKS
Molecular Formula:
C24H28N4O3
Molecular Weight:
420.5041
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$103
- +
5mg
≥98%
1 week
United States
$251
- +
10mg
99%
1 week
United States
$373
- +
25mg
99%
1 week
United States
$740
- +
50mg
99%
1 week
United States
$1223
- +
Product Description
Catalog Number:
AG00ABKS
Chemical Name:
ML314
CAS Number:
1448895-09-7
Molecular Formula:
C24H28N4O3
Molecular Weight:
420.5041
MDL Number:
MFCD28009370
IUPAC Name:
2-cyclopropyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
InChI:
InChI=1S/C24H28N4O3/c1-29-20-7-5-4-6-19(20)27-10-12-28(13-11-27)24-17-14-21(30-2)22(31-3)15-18(17)25-23(26-24)16-8-9-16/h4-7,14-16H,8-13H2,1-3H3
InChI Key:
SWEOAXMICIJCQC-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)nc(nc2N1CCN(CC1)c1ccccc1OC)C1CC1
Properties
Complexity:
583  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.216g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.513g/mol
Monoisotopic Mass:
420.216g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties