CAS RN: 16856-28-3
Z-PHE-TRP-OH
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260212 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS16856-28-3
- Purity/Analytical Methods: >99.0%
16856-28-3 / (2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
Basic Information
CAS
16856-28-3
Multi CAS
No
Molecular Formula
C28H27N3O5
Molecular Weight
485.500000
Exact Mass
485.195071
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)NC(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C28H27N3O5/c32-26(30-25(27(33)34)16-21-17-29-23-14-8-7-13-22(21)23)24(15-19-9-3-1-4-10-19)31-28(35)36-18-20-11-5-2-6-12-20/h1-14,17,24-25,29H,15-16,18H2,(H,30,32)(H,31,35)(H,33,34)
InChIKey
XPJAHPOAFDDPPF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
21
Fraction Csp3
0.18
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
4
Molar refractivity
135.27
TPSA
120.52
LogP / Solubility
WLOGP
3.82
MLOGP
3.39
XLogP3
3.6
Consensus LogP
3.6
Log S (ESOL)
-5.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.18
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
Customers Also Viewed
-
-
-
-
-
3-CHLORO-2-METHYL-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
- CAS RN: 16867-33-7
- Product Code: starshine_CAS16867-33-7
- Purity/Analytical method: >99.0%
-
2-(CHLOROMETHYL)-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
- CAS RN: 16867-35-9
- Product Code: SSC-073484
![CAS 16867-28-0 2,6-Dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/16867-28-0.gif)
![CAS 16867-33-7 3-CHLORO-2-METHYL-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/16867-33-7.gif)
![CAS 16867-35-9 2-(CHLOROMETHYL)-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/16867-35-9.gif)