CAS RN: 1624260-34-9
4-isobutyraMidonaphthalen-1-yl isobutyrate
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.20260121 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1624260-34-9
- Purity/Analytical Methods: >99.0%
1624260-34-9 / [4-(2-methylpropanoylamino)naphthalen-1-yl] 2-methylpropanoate
Basic Information
CAS
1624260-34-9
Multi CAS
No
Molecular Formula
C18H21NO3
Molecular Weight
299.400000
Exact Mass
299.152144
SMILES
CC(C)C(=O)NC1=CC=C(C2=CC=CC=C21)OC(=O)C(C)C
InChI
InChI=1S/C18H21NO3/c1-11(2)17(20)19-15-9-10-16(22-18(21)12(3)4)14-8-6-5-7-13(14)15/h5-12H,1-4H3,(H,19,20)
InChIKey
DRRZVYQAUIFWOU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
87.89
TPSA
55.4
LogP / Solubility
WLOGP
4
MLOGP
3.53
XLogP3
4.2
Consensus LogP
3.91
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.4
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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