CAS RN: 133301-03-8
SUC-PHE-OME
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: starshine_CAS133301-03-8
- Purity/Analytical Methods: >99.0%
133301-03-8 / 4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Basic Information
CAS
133301-03-8
Multi CAS
No
Molecular Formula
C14H17NO5
Molecular Weight
279.290000
Exact Mass
279.110673
SMILES
COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCC(=O)O
InChI
InChI=1S/C14H17NO5/c1-20-14(19)11(9-10-5-3-2-4-6-10)15-12(16)7-8-13(17)18/h2-6,11H,7-9H2,1H3,(H,15,16)(H,17,18)/t11-/m0/s1
InChIKey
GGESJRPALMOKTL-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
70.96
TPSA
92.7
LogP / Solubility
WLOGP
0.75
MLOGP
0.67
XLogP3
0.4
Consensus LogP
0.61
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
-
L-Cysteinamide, D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-[1-[(acetyloxy)methyl]-2-hydroxypropyl]-, cyclic (2→7)-disulfide, [R-(R*,R*)]- (9CI)
- CAS RN: 133304-81-1
- Product Code: starshine_CAS133304-81-1
- Purity/Analytical method: >99.0%
-
-
-
-
Loratadine Impurity I
- CAS RN: 133330-56-0
- Product Code: starshine_CAS133330-56-0
- Purity/Analytical method: >99.0%
![CAS 133304-81-1 L-Cysteinamide, D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-[1-[(acetyloxy)methyl]-2-hydroxypropyl]-, cyclic (2→7)-disulfide, [R-(R*,R*)]- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/133304-81-1.gif)
