SW-100

CAT: 0127-BUP09355-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP09355-04Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2126744-35-0

Purity

=98%

Smiles

ONC(=O)c1ccc(CN2CCCc3cc(Cl)ccc23)cc1

Chemical Information

SW-100

brain-penetrable HDAC6 inhibitor

CAS Number	2126744-35-0
PubChem CID	130345472
IUPAC Name	4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide
Molecular Formula	C17H17ClN2O2
Molecular Weight	316.8
XLogP	3.3
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	385

SMILES

C1CC2=C(C=CC(=C2)Cl)N(C1)CC3=CC=C(C=C3)C(=O)NO

InChI

InChI=1S/C17H17ClN2O2/c18-15-7-8-16-14(10-15)2-1-9-20(16)11-12-3-5-13(6-4-12)17(21)19-22/h3-8,10,22H,1-2,9,11H2,(H,19,21)

InChIKey

MNAYBFFSFQRSIT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2126744-35-0

CID: 130345472

Formula: C17H17ClN2O2

MW: 316.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	316.8
XLogP3	3.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	316.0978555
Monoisotopic Mass	316.0978555
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	385
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes