CAS RN: 1093070-16-6
5-Amino-2-methyl-N-(1R-naphthalen-1-yl-ethyl)benzamide
Product Availability
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6 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250301 | 100mg | Out of stock | Inquiry | |
| Batchno.20260126 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250922 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20251003 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260327 | 50mg | Out of stock | Inquiry | |
| Batchno.20250927 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1093070-16-6
- Purity/Analytical Methods: >99.0%
1093070-16-6 / 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
GRL0617 | GRL-0617 | SQH4947NDN
Basic Information
CAS
1093070-16-6
Multi CAS
Yes
Molecular Formula
C20H20N2O
Molecular Weight
304.400000
Exact Mass
304.157563
SMILES
CC1=C(C=C(C=C1)N)C(=O)N[C@H](C)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C20H20N2O/c1-13-10-11-16(21)12-19(13)20(23)22-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKey
UVERBUNNCOKGNZ-CQSZACIVSA-N
Synonyms
GRL0617
GRL-0617
SQH4947NDN
GRL 0617
5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
95.42
TPSA
55.12
LogP / Solubility
WLOGP
4.22
MLOGP
3.73
XLogP3
4
Consensus LogP
3.98
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
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
No
Log Kp (skin permeation)
-1.58
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
3
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