Products for Research Use Only
RegisterLogin

Avanafil Impurity 53

CAT: 1596-AR-A07521-05Size: 150Dry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1596-AR-A07521-05Size:150
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1711677-06-3
Molecular Formula
C20H23ClN4O5
Molecular Weight
434.88
API Name
Avanafil

Chemical Information

Ethyl (S)-4-((3-chloro-4-methoxybenzyl)amino)-2-(2-(methoxycarbonyl)pyrrolidin-1-yl)pyrimidine-5-carboxylate
CAS Number1711677-06-3
PubChem CID178344019
IUPAC Nameethyl 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[(2S)-2-methoxycarbonylpyrrolidin-1-yl]pyrimidine-5-carboxylate
Molecular FormulaC21H25ClN4O5
Molecular Weight448.9
XLogP4.3
Topological Polar Surface Area103
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count31
Formal Charge0
Complexity612
SMILES
CCOC(=O)C1=CN=C(N=C1NCC2=CC(=C(C=C2)OC)Cl)N3CCC[C@H]3C(=O)OC
InChI
InChI=1S/C21H25ClN4O5/c1-4-31-19(27)14-12-24-21(26-9-5-6-16(26)20(28)30-3)25-18(14)23-11-13-7-8-17(29-2)15(22)10-13/h7-8,10,12,16H,4-6,9,11H2,1-3H3,(H,23,24,25)/t16-/m0/s1
InChIKey
BNANGYLHRKGELL-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of Ethyl (S)-4-((3-chloro-4-methoxybenzyl)amino)-2-(2-(methoxycarbonyl)pyrrolidin-1-yl)pyrimidine-5-carboxylate
CAS: 1711677-06-3
CID: 178344019
Formula: C21H25ClN4O5
MW: 448.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.9
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass448.1513476
Monoisotopic Mass448.1513476
Topological Polar Surface Area103 Ų
Heavy Atom Count31
Formal Charge0
Complexity612
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
AR-A02973-01Avanafil Impurity 18
AR-A02963-01Avanafil Impurity 11
AR-A07514-01Avanafil Impurity 44
AR-A07505-01Avanafil Impurity 32
AR-A07547-01Avanafil Impurity 78
AR-A07545-01Avanafil Impurity 76
AR-A07544-01Avanafil Impurity 75
AR-A07533-01Avanafil Impurity 65
AR-A07526-01Avanafil Impurity 58
AR-A07520-01Avanafil Impurity 52

Alternative Products

CatalogName
RM-A164101-01Avanafil Impurity A
RM-A164108-01Avanafil Impurity H (R-Avanafil)
RM-A164183-01Avanafil Impurity 57
RM-A164147-01Avanafil Impurity 21
RM-A164149-01Avanafil Impurity 23
RM-A164118-01Avanafil Impurity R
RM-A164196-01Avanafil Impurity 70
RM-A164197-01Avanafil Impurity 71
RM-A164199-01Avanafil Impurity 73
RM-A164201-01Avanafil Impurity 74

Popular Products