Products for Research Use Only
RegisterLogin

GNE-0439 100mg

CAT: 0628-A19138-100Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0628-A19138-100Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1241902-40-8

Chemical Information

(4-(4-Propylcyclohexyl)benzoyl)-L-valine
CAS Number1241902-40-8
PubChem CID92138726
IUPAC Name(2S)-3-methyl-2-[[4-(4-propylcyclohexyl)benzoyl]amino]butanoic acid
Molecular FormulaC21H31NO3
Molecular Weight345.5
XLogP6
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity432
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)N[C@@H](C(C)C)C(=O)O
InChI
InChI=1S/C21H31NO3/c1-4-5-15-6-8-16(9-7-15)17-10-12-18(13-11-17)20(23)22-19(14(2)3)21(24)25/h10-16,19H,4-9H2,1-3H3,(H,22,23)(H,24,25)/t15?,16?,19-/m0/s1
InChIKey
SKMKUWKJBZSEJH-RJYAGPCLSA-N
Chemical Structure
2D Structure
2D structure of (4-(4-Propylcyclohexyl)benzoyl)-L-valine
CAS: 1241902-40-8
CID: 92138726
Formula: C21H31NO3
MW: 345.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight345.5
XLogP36
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass345.23039385
Monoisotopic Mass345.23039385
Topological Polar Surface Area66.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity432
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
A19138-25GNE-0439 25mg
A19138-5GNE-0439 5mg
A19138-50GNE-0439 50mg
A19138-10GNE-0439 10mg
A19248-100GNE-371 100mg
A20295-100GNE 5729 100mg
A19243-100GNE-955 100mg
A14178-100GNE-900 100mg
A14114-100GNE 477 100mg
A13992-100GNE-317 100mg

Alternative Products

CatalogName
HY-123824-01GNE-0439
400606-01GNE
BA6483-25GNE-1858
BA6479-5GNE-495
BA6536-25GNE-9815
BA6476-1GNE-8505
BA3998-5GNE-371
BA4690-2GNE-272
BA9122-1GNE-7883
BA8045-5.1GNE-618

Popular Products