Products for Research Use Only

BW 175

CAT: 0013-GTR19195254-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195254-02Size:50 mg
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Description
BW 175 is a small molecule bioactive compound utilized in biochemical research. It serves as a valuable tool for investigating biological pathways in both in vitro and in vivo experimental models, supporting studies in pharmacology and molecular biology.
CAS Number
120716-81-6
Smiles
CCCC[C@H] (NC (=O) [C@H] (Cc1cccc2ccccc12) CS (=O) (=O) CC) C (=O) N[C@@H] (CC1CCCCC1) [C@@H] (O) [C@@H] (O) CN1CCOCC1
Molecular Formula
C37H57N3O7S
Molecular Weight
687.93
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

BW 175

structure given in first source

CAS Number120716-81-6
PubChem CID129247
IUPAC Name(2S)-N-(1-cyclohexyl-3,4-dihydroxy-5-morpholin-4-ylpentyl)-2-[[2-(ethylsulfonylmethyl)-3-naphthalen-1-ylpropanoyl]amino]hexanamide
Molecular FormulaC37H57N3O7S
Molecular Weight687.9
XLogP4.9
Topological Polar Surface Area154
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count18
Heavy Atom Count48
Formal Charge0
Complexity1070
SMILES
CCCC[C@@H](C(=O)NC(CC(C(CN1CCOCC1)O)O)C2CCCCC2)NC(=O)C(CC3=CC=CC4=CC=CC=C43)CS(=O)(=O)CC
InChI
InChI=1S/C37H57N3O7S/c1-3-5-18-32(38-36(43)30(26-48(45,46)4-2)23-29-16-11-15-27-12-9-10-17-31(27)29)37(44)39-33(28-13-7-6-8-14-28)24-34(41)35(42)25-40-19-21-47-22-20-40/h9-12,15-17,28,30,32-35,41-42H,3-8,13-14,18-26H2,1-2H3,(H,38,43)(H,39,44)/t30?,32-,33?,34?,35?/m0/s1
InChIKey
KWZQSSZGRAYHPC-JVYWTFSOSA-N
Chemical Structure
2D Structure
2D structure of BW 175
CAS: 120716-81-6
CID: 129247
Formula: C37H57N3O7S
MW: 687.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight687.9
XLogP34.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count18
Exact Mass687.39172234
Monoisotopic Mass687.39172234
Topological Polar Surface Area154 Ų
Heavy Atom Count48
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes