[email protected]
CAS 23018-09-9 Z-TYR-ALA-OH molecular structure lightbox
CAS RN: 23018-09-9

Z-TYR-ALA-OH

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260112 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS23018-09-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

23018-09-9 / 2-[[3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid

Standard CAS: 23018-09-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23018-09-9
Multi CAS
No
Molecular Formula
C20H22N2O6
Molecular Weight
386.400000
Exact Mass
386.147786
SMILES
CC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C20H22N2O6/c1-13(19(25)26)21-18(24)17(11-14-7-9-16(23)10-8-14)22-20(27)28-12-15-5-3-2-4-6-15/h2-10,13,17,23H,11-12H2,1H3,(H,21,24)(H,22,27)(H,25,26)/t13-,17-/m1/s1
InChIKey
LKRYTYVDKGHSPS-CXAGYDPISA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
4
Molar refractivity
100.6
TPSA
124.96

LogP / Solubility

WLOGP
1.82
MLOGP
1.62
XLogP3
1.5
Consensus LogP
1.65
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
Class (SILICOS-IT)
Slightly 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)
-3.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us