Abeprazan Impurity 2

CAT: 1299-RM-A022602-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A022602-02Size:25 mg

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CAS Number

1902955-30-9

Synonyms

Methyl 5- (2,4-difluorophenyl) -1- ((3-fluorophenyl) sulfonyl) -4-methoxy-1H-pyrrole-3-carboxylate

Molecular Formula

C19H14F3NO5S

Molecular Weight

425.38

Target Alternative Name

Abeprazan

Product Name Synonym

Methyl 5- (2,4-difluorophenyl) -1- ((3-fluorophenyl) sulfonyl) -4-methoxy-1H-pyrrole-3-carboxylate

Chemical Information

Abeprazan Impurity 2

CAS Number	1902955-30-9
PubChem CID	130454894
IUPAC Name	methyl 5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrole-3-carboxylate
Molecular Formula	C19H14F3NO5S
Molecular Weight	425.4
XLogP	3.7
Topological Polar Surface Area	83
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	29
Formal Charge	0
Complexity	688

SMILES

COC1=C(N(C=C1C(=O)OC)S(=O)(=O)C2=CC=CC(=C2)F)C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C19H14F3NO5S/c1-27-18-15(19(24)28-2)10-23(17(18)14-7-6-12(21)9-16(14)22)29(25,26)13-5-3-4-11(20)8-13/h3-10H,1-2H3

InChIKey

IUVHFKSSLHCJHP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1902955-30-9

CID: 130454894

Formula: C19H14F3NO5S

MW: 425.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	425.4
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	425.05447821
Monoisotopic Mass	425.05447821
Topological Polar Surface Area	83 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	688
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
RM-A022603-01	Abeprazan Impurity 3
RM-A022601-01	Abeprazan Impurity 1
RM-A022600-01	Abeprazan
RM-G271002-01	Gc376 Impurity 2; Nirmatrelvir Impurity
RM-V192041-01	Valsartan Impurity 41; Sacubitril Impurity 2
RM-V192107-01	Valsartan Impurity 107; Amlodipine Impurity 2
RM-S060226-01	Sofosbuvir Impurity 2; Sofosbuvir Impurity V
RM-K200339-01	Ketoconazole Impurity 39; Itraconazole Impurity 2
RM-I231002-01	Ivacaftor Impurity 2
RM-M030611-01	Micafungin Impurity 2

Catalog	Name
AR-A05204-01	Abeprazan Impurity 1
AR-A04907-01	Abeprazan 3-chloro Impurity HCl Salt
BA6938-1	Abeprazan
T10221-01	Abeprazan hydrochloride
AR-A04906-01	Abeprazan HCl
AR-A04908-01	Abeprazan Dimer
HY-109079A-01	Abeprazan (hydrochloride)
AR-A05203-01	Abeprazan-13C-d3
AR-A05205-01	N-Nitroso Abeprazan
TRC-A642330-100MG	Abeprazan dimer Hydrochloride salt