Para-bromofentanyl

CAT: 0926-SEA99423-02Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-SEA99423-02Size:25 mg

Selected

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

Quick Request Actions

CAS Number

117994-23-7

Smiles

CCC (=O) N (C1CCN (CC1) CCC2=CC=CC=C2) C3=CC=C (C=C3) Br

Molecular Formula

C22H27BrN2O

Molecular Weight

415.4 g/mol

Controlled

Yes

Chemical Information

p-Bromofentanyl

CAS Number	117994-23-7
PubChem CID	14129713
IUPAC Name	N-(4-bromophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Molecular Formula	C22H27BrN2O
Molecular Weight	415.4
XLogP	4.7
Topological Polar Surface Area	23.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	26
Formal Charge	0
Complexity	422

SMILES

CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H27BrN2O/c1-2-22(26)25(20-10-8-19(23)9-11-20)21-13-16-24(17-14-21)15-12-18-6-4-3-5-7-18/h3-11,21H,2,12-17H2,1H3

InChIKey

UTXQWNZEVFXSIA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 117994-23-7

CID: 14129713

Formula: C22H27BrN2O

MW: 415.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	415.4
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	414.13068
Monoisotopic Mass	414.13068
Topological Polar Surface Area	23.6 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	422
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

Catalog	Name
FP52643-01	Para Red
FP26760-01	Para-methoxyamphetamine hydrochloride
BRB75354-01	Imatinib para-diaminomethylbenzene
YAA60941-01	Para-methoxyfentanyl hydrochloride
BAA80712-01	Para-Methylfentanyl hydrochloride
FA01585-01	Ammonium (para) tungstate hydrate
OD31775	Difucosyl-para-lacto-N-neohexaose
WZB81927	Imatinib para-diaminomethylbenzene impurity-d3
OM05902-01	Monofucosyl-para-lacto-N-hexaose I
OM31773	Monofucosyl-para-lacto-N-neohexaose IV

Catalog	Name
MBS1151071-01	Recombinant Rhizobium radiobacter Protein parA (parA)
BA4618-.5	Para-aminoblebbistatin
463499	para-NitroBlebbistatin
462032-01	Para Red
TRC-T540300-5MG	para-Topolin
90027678	Para-nitrobenzoylchloride
HY-W681674-01	Para-Methylaminorex
CS-P-01754	Para-Vortioxetine
TRC-R279615-100MG	para-Revefenacin
GTR17981616	ParA Antibody