Products for Research Use Only
RegisterLogin

(S) -ML753286

CAT: 0926-ZSC72085-02Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-ZSC72085-02Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1699720-85-8
MDL Number
MFCD30533375
Smiles
CC1C (=O) N2C (CC3=C (C2CC (C) C) NC4=C3C=CC (=C4) OC) C (=O) N1
Molecular Formula
C20H25N3O3
Molecular Weight
355.4 g/mol
Controlled
No

Chemical Information

Bcrp-IN-1
CAS Number1699720-85-8
PubChem CID91669184
IUPAC Name(2S,5S,8S)-14-methoxy-5-methyl-2-(2-methylpropyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Molecular FormulaC20H25N3O3
Molecular Weight355.4
XLogP2.7
Topological Polar Surface Area74.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity581
SMILES
C[C@H]1C(=O)N2[C@@H](CC3=C([C@@H]2CC(C)C)NC4=C3C=CC(=C4)OC)C(=O)N1
InChI
InChI=1S/C20H25N3O3/c1-10(2)7-16-18-14(13-6-5-12(26-4)8-15(13)22-18)9-17-19(24)21-11(3)20(25)23(16)17/h5-6,8,10-11,16-17,22H,7,9H2,1-4H3,(H,21,24)/t11-,16-,17-/m0/s1
InChIKey
XDVXQQDQFWVCAU-GOPGUHFVSA-N
Chemical Structure
2D Structure
2D structure of Bcrp-IN-1
CAS: 1699720-85-8
CID: 91669184
Formula: C20H25N3O3
MW: 355.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.4
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass355.18959167
Monoisotopic Mass355.18959167
Topological Polar Surface Area74.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity581
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
ZSC72089-01ML753286
SZB17540-01(S, S, S) -Aprepitant
ACA57818-01S, S-Tetramethylenesulphoximide
ILA15994-01(S, S) -Valifenalate
IDA16724-01S, S-Labetalol
FO26606(S, S) -Oxaliplatin
ZNA55402-01(S, S, S) -Enalapril-d5 maleate
BAA20966-01Phenothiazine S, S-dioxide
FD61295S, S'-Diethyl Dithiocarbonate
FD40912-01S, S'-Dimethyl dithiocarbonate

Alternative Products

CatalogName
BA6559-1ML753286
MBS3845031-01(S)-ML753286
GTR19206472-01(S) -ML753286
MBS5815119(6R)-ML753286
T72861-01(6R) -ML753286
A20588-10(S) -ML753286 10mg
A20588-50(S) -ML753286 50mg
A20588-25(S) -ML753286 25mg
A20588-100(S) -ML753286 100mg
HY-100390R(S) -ML753286 (Standard)

Popular Products