Products for Research Use Only
RegisterLogin

Ab-005 azepane isomer-d3

CAT: 0926-VHC75174-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-VHC75174-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1445751-74-5
MDL Number
MFCD30718186
Smiles
CC1 (C (C1 (C) C) C (=O) C2=CN (C3=CC=CC=C32) C4CCCCN (C4) C) C
Molecular Formula
C23H32N2O
Molecular Weight
352.5 g/mol
Controlled
Yes

Chemical Information

(1-(1-Methylazepan-3-yl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CAS Number1445751-74-5
PubChem CID90464178
IUPAC Name[1-(1-methylazepan-3-yl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
Molecular FormulaC23H32N2O
Molecular Weight352.5
XLogP4.7
Topological Polar Surface Area25.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity540
SMILES
CC1(C(C1(C)C)C(=O)C2=CN(C3=CC=CC=C32)C4CCCCN(C4)C)C
InChI
InChI=1S/C23H32N2O/c1-22(2)21(23(22,3)4)20(26)18-15-25(19-12-7-6-11-17(18)19)16-10-8-9-13-24(5)14-16/h6-7,11-12,15-16,21H,8-10,13-14H2,1-5H3
InChIKey
VNSNHIFBQMRMRE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (1-(1-Methylazepan-3-yl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CAS: 1445751-74-5
CID: 90464178
Formula: C23H32N2O
MW: 352.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.5
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass352.251463648
Monoisotopic Mass352.251463648
Topological Polar Surface Area25.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity540
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HHC47891-01Am2233 azepane isomer
YDC08104-01Am1220 azepane isomer
BM166976-01AB 005
QUD47164-01Ab-fubinaca isomer 2
10-3097NCAPD3/hCAP-D3 Ab
SCA65147-01Azepane-1-carboxamide
RMC57476-013- (Methoxymethyl) azepane
YGC03154-013- (Methylsulfanyl) azepane
RVB37986-014- (Methoxymethyl) azepane
EAA10889-01Azepane-1-sulfonamide

Alternative Products

CatalogName
TRC-A104507-25MGAB-005 Azepane Isomer-D3
440655-01AB-005 Azepane Isomer
440656AB-005 Azepane Isomer-D4
TRC-A729335-100MGAM1248 Azepane Isomer
TRC-A729333-100MGAM2233 Azepane Isomer
TRC-A112648-25MGAB-FUBINACA Isomer 5
HY-114880-01AB-FUBINACA 3-fluorobenzyl isomer
TRC-A112630-100MGAB-FUBINACA 2-Fluorobenzyl Isomer
TYD-02539-01AB-CHMINACA 2'-indazole isomer
TRC-A112640-100MGAB-FUBINACA 2'-Indazole Isomer

Popular Products