CAS RN: 1393441-53-6
RY796
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.20260418 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1393441-53-6
- Purity/Analytical Methods: >99.0%
1393441-53-6 / 2-(dimethylamino)-5-(2-methylpropanoylamino)-N-[(1R)-1-phenylethyl]benzamide
Basic Information
CAS
1393441-53-6
Multi CAS
No
Molecular Formula
C21H27N3O2
Molecular Weight
353.500000
Exact Mass
353.210327
SMILES
C[C@H](C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C(C)C)N(C)C
InChI
InChI=1S/C21H27N3O2/c1-14(2)20(25)23-17-11-12-19(24(4)5)18(13-17)21(26)22-15(3)16-9-7-6-8-10-16/h6-15H,1-5H3,(H,22,26)(H,23,25)/t15-/m1/s1
InChIKey
LDXZFQWWXMRMAS-OAHLLOKOSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
106.56
TPSA
61.44
LogP / Solubility
WLOGP
3.84
MLOGP
3.4
XLogP3
3.4
Consensus LogP
3.55
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.86
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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