CAS RN: 42761-76-2
GLY-PRO 4-METHOXY-BETA-NAPHTHYLAMIDE
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS42761-76-2
- Purity/Analytical Methods: >99.0%
42761-76-2 / 1-(2-aminoacetyl)-N-(4-methoxynaphthalen-2-yl)pyrrolidine-2-carboxamide
Basic Information
CAS
42761-76-2
Multi CAS
Yes
Molecular Formula
C18H21N3O3
Molecular Weight
327.400000
Exact Mass
327.158292
InChI
InChI=1S/C18H21N3O3/c1-24-16-10-13(9-12-5-2-3-6-14(12)16)20-18(23)15-7-4-8-21(15)17(22)11-19/h2-3,5-6,9-10,15H,4,7-8,11,19H2,1H3,(H,20,23)
InChIKey
LSZPYDQEJZWJIJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
92.92
TPSA
84.66
LogP / Solubility
WLOGP
1.74
MLOGP
1.54
XLogP3
1.5
Consensus LogP
1.59
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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- Product Code: starshine_CAS42781-12-4
- Purity/Analytical method: >99.0%
