HIF-PHD-IN-1

CAT: 0607-BA7815-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA7815-5Size:5 mg

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CAS Number

1567657-46-8

Form

A solid

Molecular Formula

C17H12Cl2N6O3

Molecular Weight

419.22

Shipping Conditions

Blue ice

Storage Conditions

4°C, desiccated and protect from light.

Chemical Information

Hif-phd-IN-1

CAS Number	1567657-46-8
PubChem CID	137092773
IUPAC Name	1-[1-[(1S)-1-(2,5-dichlorophenyl)ethyl]-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-5-yl]pyrazole-4-carboxylic acid
Molecular Formula	C17H12Cl2N6O3
Molecular Weight	419.2
XLogP	2.5
Topological Polar Surface Area	114
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	28
Formal Charge	0
Complexity	679

SMILES

C[C@@H](C1=C(C=CC(=C1)Cl)Cl)N2C3=C(C=N2)N=C(NC3=O)N4C=C(C=N4)C(=O)O

InChI

InChI=1S/C17H12Cl2N6O3/c1-8(11-4-10(18)2-3-12(11)19)25-14-13(6-21-25)22-17(23-15(14)26)24-7-9(5-20-24)16(27)28/h2-8H,1H3,(H,27,28)(H,22,23,26)/t8-/m0/s1

InChIKey

BJMKDEGQDAVFGT-QMMMGPOBSA-N

Chemical Structure

2D Structure

CAS: 1567657-46-8

CID: 137092773

Formula: C17H12Cl2N6O3

MW: 419.2

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	419.2
XLogP3	2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	418.0347937
Monoisotopic Mass	418.0347937
Topological Polar Surface Area	114 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	679
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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BUP03121-01	PHD-1-IN-1

HIF-PHD-IN-1

Chemical Information

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