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BML-210

CAT: 0127-BUP05852-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP05852-04Size:25 mg
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CAS Number
537034-17-6
Synonyms
CAY10433
Purity
=95%
Smiles
Nc1ccccc1NC(=O)CCCCCCC(=O)Nc1ccccc1

Chemical Information

N1-(2-aminophenyl)-N8-phenyloctanediamide

BML-210 is a dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and 1,2-diaminobenzene. It has a role as an antineoplastic agent and an EC 3.5.1.98 (histone deacetylase) inhibitor. It is functionally related to a suberic acid.

CAS Number537034-17-6
PubChem CID9543540
IUPAC NameN'-(2-aminophenyl)-N-phenyloctanediamide
Molecular FormulaC20H25N3O2
Molecular Weight339.4
XLogP3
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count25
Formal Charge0
Complexity408
SMILES
C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NC2=CC=CC=C2N
InChI
InChI=1S/C20H25N3O2/c21-17-12-8-9-13-18(17)23-20(25)15-7-2-1-6-14-19(24)22-16-10-4-3-5-11-16/h3-5,8-13H,1-2,6-7,14-15,21H2,(H,22,24)(H,23,25)
InChIKey
RFLHBLWLFUFFDZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N1-(2-aminophenyl)-N8-phenyloctanediamide
CAS: 537034-17-6
CID: 9543540
Formula: C20H25N3O2
MW: 339.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight339.4
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass339.19467705
Monoisotopic Mass339.19467705
Topological Polar Surface Area84.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity408
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS131442BML-210, (BML210; BML 210)
MBS3604905-01BML-210
B5968-10BML-210(CAY10433)
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