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BHPI

CAS No.:
56632-39-4
Catalog Number:
AG00ECFD
Molecular Formula:
C21H17NO3
Molecular Weight:
331.3646
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$169
- +
5mg
98%
1 week
United States
$257
- +
10mg
98%
1 week
United States
$373
- +
50mg
98%
1 week
United States
$1323
- +
Product Description
Catalog Number:
AG00ECFD
Chemical Name:
BHPI
CAS Number:
56632-39-4
Molecular Formula:
C21H17NO3
Molecular Weight:
331.3646
MDL Number:
MFCD01919164
IUPAC Name:
3,3-bis(4-hydroxyphenyl)-7-methyl-1H-indol-2-one
InChI:
InChI=1S/C21H17NO3/c1-13-3-2-4-18-19(13)22-20(25)21(18,14-5-9-16(23)10-6-14)15-7-11-17(24)12-8-15/h2-12,23-24H,1H3,(H,22,25)
InChI Key:
FABLAHMQSQFDHR-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C1(c2ccc(cc2)O)C(=O)Nc2c1cccc2C
Properties
Complexity:
469  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.121g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
331.371g/mol
Monoisotopic Mass:
331.121g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
Syntheses and antiproliferative evaluation of oxyphenisatin derivatives. Bioorganic & medicinal chemistry letters 20070515
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