RBN012759

CAT: 0607-BA4360-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA4360-5Size:5 mg

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

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CAS Number

2360851-29-0

Form

A solid

Molecular Formula

C19H23FN2O3S

Molecular Weight

378.46

Shipping Conditions

Blue ice

Storage Conditions

4°C, protect from light.

Chemical Information

7-(Cyclopropylmethoxy)-5-fluoro-2-(((trans-4-hydroxycyclohexyl)thio)methyl)quinazolin-4(1H)-one

CAS Number	2360851-29-0
PubChem CID	138696916
IUPAC Name	7-(cyclopropylmethoxy)-5-fluoro-2-[(4-hydroxycyclohexyl)sulfanylmethyl]-3H-quinazolin-4-one
Molecular Formula	C19H23FN2O3S
Molecular Weight	378.5
XLogP	2.8
Topological Polar Surface Area	96.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	26
Formal Charge	0
Complexity	549

SMILES

C1CC1COC2=CC3=C(C(=C2)F)C(=O)NC(=N3)CSC4CCC(CC4)O

InChI

InChI=1S/C19H23FN2O3S/c20-15-7-13(25-9-11-1-2-11)8-16-18(15)19(24)22-17(21-16)10-26-14-5-3-12(23)4-6-14/h7-8,11-12,14,23H,1-6,9-10H2,(H,21,22,24)

InChIKey

NKZDEFKPZSLQRF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2360851-29-0

CID: 138696916

Formula: C19H23FN2O3S

MW: 378.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	378.5
XLogP3	2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	378.14134194
Monoisotopic Mass	378.14134194
Topological Polar Surface Area	96.2 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	549
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
HY-136979-01	RBN012759