CAS RN: 21438-66-4
GLY-PHE BETA-NAPHTHYLAMIDE
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock2 grade groups
- Product code: starshine_CAS21438-66-4
- Purity/Analytical Methods: >99.0%
21438-66-4 / (2S)-2-[(2-aminoacetyl)amino]-N-naphthalen-2-yl-3-phenylpropanamide
Basic Information
CAS
21438-66-4
Multi CAS
No
Molecular Formula
C21H21N3O2
Molecular Weight
347.400000
Exact Mass
347.163377
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)NC2=CC3=CC=CC=C3C=C2)NC(=O)CN
InChI
InChI=1S/C21H21N3O2/c22-14-20(25)24-19(12-15-6-2-1-3-7-15)21(26)23-18-11-10-16-8-4-5-9-17(16)13-18/h1-11,13,19H,12,14,22H2,(H,23,26)(H,24,25)/t19-/m0/s1
InChIKey
YABDXPBHLDPMOA-IBGZPJMESA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.14
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
103.71
TPSA
84.22
LogP / Solubility
WLOGP
2.46
MLOGP
2.19
XLogP3
2.8
Consensus LogP
2.48
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
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)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
Customers Also Viewed
-
(S)-1-(2-Chloroacetyl)pyrrolidine-2-carboxaMide
- CAS RN: 214398-99-9
- Product Code: SSC-102798
-
2,6-diiodo-4-(trifluoromethyl)aniline
- CAS RN: 214400-66-5
- Product Code: starshine_CAS214400-66-5
- Purity/Analytical method: >99.0%
-
Pentanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, (4R)- (9CI)
- CAS RN: 214402-34-3
- Product Code: starshine_CAS214402-34-3
- Purity/Analytical method: >99.0%
-
-
-
4-(4-CHLORO-PHENYL)-5-METHYL-2H-PYRAZOL-3-YLAMINE
- CAS RN: 214416-39-4
- Product Code: starshine_CAS214416-39-4
- Purity/Analytical method: >99.0%
![CAS 214402-34-3 Pentanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, (4R)- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/214402-34-3.gif)
