Products for Research Use Only
RegisterLogin

Autogramin-1

CAT: 0926-AVD54173-02Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-AVD54173-02Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2375541-73-2
Smiles
CCCN1C (=O) C2=C (C=C (C=C2) C (=O) NC3=NC4=C (S3) CN (CC4) C (=O) OC (C) (C) C) NC1=O
Molecular Formula
C23H27N5O5S
Molecular Weight
485.6 g/mol
Controlled
No

Chemical Information

Autogramin-1
CAS Number2375541-73-2
PubChem CID138106864
IUPAC Nametert-butyl 2-[(2,4-dioxo-3-propyl-1H-quinazoline-7-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
Molecular FormulaC23H27N5O5S
Molecular Weight485.6
XLogP2.5
Topological Polar Surface Area149
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity833
SMILES
CCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=NC4=C(S3)CN(CC4)C(=O)OC(C)(C)C)NC1=O
InChI
InChI=1S/C23H27N5O5S/c1-5-9-28-19(30)14-7-6-13(11-16(14)25-21(28)31)18(29)26-20-24-15-8-10-27(12-17(15)34-20)22(32)33-23(2,3)4/h6-7,11H,5,8-10,12H2,1-4H3,(H,25,31)(H,24,26,29)
InChIKey
SKCCDKMWKFQCQC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Autogramin-1
CAS: 2375541-73-2
CID: 138106864
Formula: C23H27N5O5S
MW: 485.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight485.6
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass485.17329015
Monoisotopic Mass485.17329015
Topological Polar Surface Area149 Ų
Heavy Atom Count34
Formal Charge0
Complexity833
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
BA171490-01Autogramin 2
OF59775-011,1,1,1,1-Kestoheptaose
OK59466-011,1,1,1-Kestohexose
IFA69273-011-Iodobicyclo[1.1.1]pentane
DFA88480-011-Bromobicyclo[1.1.1]pentane
AAA918001,1,1-Trichloroacetone
FT77421-011,1,1-Trifluorobutane
FT78177-011,1,1-Trifluoronitroethane
OK32473-011,1,1-Kestopentaose
QEA91330-011,1'- (Bicyclo[1.1.1]pentane-1,3-diyl) diethanone

Alternative Products

CatalogName
MBS5752738Autogramin-1
BA3645-5Autogramin-2
TBI4439-5MGAutogramin-2, GRAMD1A inhibitor
297272-011,1,1,1,1-Kestoheptaose
N2864-5.11,1,1,1-Kestohexaose
1120401,1,1,1-Kestohexose

Popular Products