CAS RN: 1093070-10-0
2-Methyl-N-(1R-naphthalen-2-yl-ethyl)-benzamide
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.20260322 | 1mg / 5mg / 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1093070-10-0
- Purity/Analytical Methods: >99.0%
1093070-10-0 / 2-methyl-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
PLpro-IN-1 | TC-067533 | 2-Methyl-N-(1R-naphthalen-2-yl-ethyl)-benzamide
Basic Information
CAS
1093070-10-0
Multi CAS
Yes
Molecular Formula
C20H19NO
Molecular Weight
289.400000
Exact Mass
289.146664
SMILES
CC1=CC=CC=C1C(=O)N[C@H](C)C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C20H19NO/c1-14-7-3-6-10-19(14)20(22)21-15(2)17-12-11-16-8-4-5-9-18(16)13-17/h3-13,15H,1-2H3,(H,21,22)/t15-/m1/s1
InChIKey
PNLGQULYJADVGW-OAHLLOKOSA-N
Synonyms
PLpro-IN-1
TC-067533
2-Methyl-N-(1R-naphthalen-2-yl-ethyl)-benzamide
2-Methyl-N-(1S-naphthalen-2-yl-ethyl)-benzamide
2-methyl-n-(1r-naphthalen-2-ylethyl)benzamide
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
91.01
TPSA
29.1
LogP / Solubility
WLOGP
4.64
MLOGP
4.09
XLogP3
4.7
Consensus LogP
4.48
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.75
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)
-1.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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