CAS RN: 185213-03-0
Butabindide oxalate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250808 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS185213-03-0
- Purity/Analytical Methods: >99.0%
185213-03-0 / (2S)-1-[(2S)-2-aminobutanoyl]-N-butyl-2,3-dihydroindole-2-carboxamide;oxalic acid
Basic Information
CAS
185213-03-0
Multi CAS
No
Molecular Formula
C19H27N3O6
Molecular Weight
393.400000
Exact Mass
393.189986
SMILES
CCCCNC(=O)[C@@H]1CC2=CC=CC=C2N1C(=O)[C@H](CC)N.C(=O)(C(=O)O)O
InChI
InChI=1S/C17H25N3O2.C2H2O4/c1-3-5-10-19-16(21)15-11-12-8-6-7-9-14(12)20(15)17(22)13(18)4-2;3-1(4)2(5)6/h6-9,13,15H,3-5,10-11,18H2,1-2H3,(H,19,21);(H,3,4)(H,5,6)/t13-,15-;/m0./s1
InChIKey
KKMJFDVOXSGHBF-SLHAJLBXSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
4
Molar refractivity
102.88
TPSA
150.03
LogP / Solubility
WLOGP
0.75
MLOGP
0.69
XLogP3
0.75
Consensus LogP
0.73
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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