K-7174 2HCl 100mg

CAT: 0628-A15446-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A15446-100Size:100 mg

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

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CAS Number

191089-60-8

Chemical Information

K-7174 dihydrochloride

CAS Number	191089-60-8
PubChem CID	9874190
IUPAC Name	1,4-bis[(E)-5-(3,4,5-trimethoxyphenyl)pent-4-enyl]-1,4-diazepane;dihydrochloride
Molecular Formula	C33H50Cl2N2O6
Molecular Weight	641.7
Topological Polar Surface Area	61.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	16
Heavy Atom Count	43
Formal Charge	0
Complexity	663

SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/CCCN2CCN(CCC2)CCC/C=C/C3=CC(=C(C(=C3)OC)OC)OC.Cl.Cl

InChI

InChI=1S/C33H48N2O6.2ClH/c1-36-28-22-26(23-29(37-2)32(28)40-5)14-9-7-11-16-34-18-13-19-35(21-20-34)17-12-8-10-15-27-24-30(38-3)33(41-6)31(25-27)39-4;;/h9-10,14-15,22-25H,7-8,11-13,16-21H2,1-6H3;2*1H/b14-9+,15-10+;;

InChIKey

JKAQFPBRMVEHBD-CHBZAFCASA-N

Chemical Structure

2D Structure

CAS: 191089-60-8

CID: 9874190

Formula: C33H50Cl2N2O6

MW: 641.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	641.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	16
Exact Mass	640.3045927
Monoisotopic Mass	640.3045927
Topological Polar Surface Area	61.9 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	663
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
A15446-50	K-7174 2HCl 50mg
A15446-1	K-7174 2HCl 1mg
A15446-25	K-7174 2HCl 25mg
A15446-10	K-7174 2HCl 10mg
A15446-5	K-7174 2HCl 5mg
A15445-100	K-7174 100mg
A15445-200	K-7174 200mg
A15445-1	K-7174 1mg
A15445-25	K-7174 25mg
A15445-50	K-7174 50mg

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K-7174 2HCl 100mg

Chemical Information

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