Isofebrifugine

CAT: 0607-BA2141-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA2141-5Size:5 mg

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

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CAS Number

32434-44-9

Form

A solid

Molecular Formula

C16H19N3O3

Molecular Weight

301.34

Shipping Conditions

Blue ice

Storage Conditions

-20°C, protect from light.

Chemical Information

Isofebrifugine

Isofebrifugine is a member of quinazolines.

CAS Number	32434-44-9
PubChem CID	9851693
IUPAC Name	3-[[(3aS,7aS)-2-hydroxy-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridin-2-yl]methyl]quinazolin-4-one
Molecular Formula	C16H19N3O3
Molecular Weight	301.34
XLogP	0.4
Topological Polar Surface Area	74.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	22
Formal Charge	0
Complexity	483

SMILES

C1C[C@H]2[C@H](CC(O2)(CN3C=NC4=CC=CC=C4C3=O)O)NC1

InChI

InChI=1S/C16H19N3O3/c20-15-11-4-1-2-5-12(11)18-10-19(15)9-16(21)8-13-14(22-16)6-3-7-17-13/h1-2,4-5,10,13-14,17,21H,3,6-9H2/t13-,14-,16?/m0/s1

InChIKey

YLYLCQRQSRDSQR-ADTLFGHVSA-N

Chemical Structure

2D Structure

CAS: 32434-44-9

CID: 9851693

Formula: C16H19N3O3

MW: 301.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	301.34
XLogP3	0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	301.14264148
Monoisotopic Mass	301.14264148
Topological Polar Surface Area	74.2 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	483
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TN1145	Isofebrifugine
300478	ISOFEBRIFUGINE (B604866K055)