Baquiloprim

CAT: 0607-BA1174-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA1174-5Size:5 mg

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CAS Number

102280-35-3

Molecular Formula

C17H20N6

Molecular Weight

308.38

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Baquiloprim

Baquiloprim is a small molecule drug. Baquiloprim has a monoisotopic molecular weight of 308.17 Da.

CAS Number	102280-35-3
PubChem CID	9861430
IUPAC Name	5-[[8-(dimethylamino)-7-methylquinolin-5-yl]methyl]pyrimidine-2,4-diamine
Molecular Formula	C17H20N6
Molecular Weight	308.4
XLogP	2.2
Topological Polar Surface Area	94
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	389

SMILES

CC1=CC(=C2C=CC=NC2=C1N(C)C)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C17H20N6/c1-10-7-11(8-12-9-21-17(19)22-16(12)18)13-5-4-6-20-14(13)15(10)23(2)3/h4-7,9H,8H2,1-3H3,(H4,18,19,21,22)

InChIKey

AIOWJIMWVFWROP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 102280-35-3

CID: 9861430

Formula: C17H20N6

MW: 308.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	308.4
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	308.17494466
Monoisotopic Mass	308.17494466
Topological Polar Surface Area	94 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	389
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-B011600-01	Baquiloprim
TRC-B118002-100MG	Baquiloprim-d6
HY-19581R	Baquiloprim (Standard)
TRC-B118005-25MG	Baquiloprim-2,4-dione
TRC-D437825-10MG	2,4-Dichloro Baquiloprim
TRC-D496358-50MG	8-Didemethyl Baquiloprim-2,4-dione