CC-401 Hydrochloride

CAT: 0127-BUP08756-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP08756-01Size:1 mg

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CAS Number

1438391-30-0

Synonyms

CC401 HCl

Purity

=95%

Smiles

Cl.C(CN1CCCCC1)Oc1cccc(c1)-c1n[nH]c2ccc(cc12)-c1ncn[nH]1

Chemical Information

CC-401 hydrochloride

CAS Number	1438391-30-0
PubChem CID	66576998
IUPAC Name	3-[3-(2-piperidin-1-ylethoxy)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;hydrochloride
Molecular Formula	C22H25ClN6O
Molecular Weight	424.9
Topological Polar Surface Area	82.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	30
Formal Charge	0
Complexity	516

SMILES

C1CCN(CC1)CCOC2=CC=CC(=C2)C3=NNC4=C3C=C(C=C4)C5=NC=NN5.Cl

InChI

InChI=1S/C22H24N6O.ClH/c1-2-9-28(10-3-1)11-12-29-18-6-4-5-16(13-18)21-19-14-17(22-23-15-24-27-22)7-8-20(19)25-26-21;/h4-8,13-15H,1-3,9-12H2,(H,25,26)(H,23,24,27);1H

InChIKey

OIBVXKYKWOUGAO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1438391-30-0

CID: 66576998

Formula: C22H25ClN6O

MW: 424.9

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	424.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	424.1778371
Monoisotopic Mass	424.1778371
Topological Polar Surface Area	82.7 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	516
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	2
Compound Is Canonicalized	Yes

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BUP21783	LEI-401
BUP05799-01	CORM-401
BIPG2005-01	BP Lipid 401
BUP12853-01	CC-671
BUP00785-01	CC-99677
BUP03115-01	CC-90001

Alternative Products

Catalog	Name
A3287-5	CC-401 hydrochloride
HY-13022-01	CC-401 (hydrochloride)
HY-13022R-01	CC-401 (hydrochloride) (Standard)
A15037-50	CC-401 hydrochloride 50mg
A15037-5	CC-401 hydrochloride 5mg
A15037-1	CC-401 hydrochloride 1mg
A15037-100	CC-401 hydrochloride 100mg
A15037-25	CC-401 hydrochloride 25mg
A15037-10	CC-401 hydrochloride 10mg

CC-401 Hydrochloride

Chemical Information

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