CAS RN: 15080-84-9
H-PHE-MET-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.20250628 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS15080-84-9
- Purity/Analytical Methods: >99.0%
15080-84-9 / (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid
Basic Information
CAS
15080-84-9
Multi CAS
No
Molecular Formula
C14H20N2O3S
Molecular Weight
296.390000
Exact Mass
296.119464
SMILES
CSCC[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)N
InChI
InChI=1S/C14H20N2O3S/c1-20-8-7-12(14(18)19)16-13(17)11(15)9-10-5-3-2-4-6-10/h2-6,11-12H,7-9,15H2,1H3,(H,16,17)(H,18,19)/t11-,12-/m0/s1
InChIKey
PYOHODCEOHCZBM-RYUDHWBXSA-N
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
3
Molar refractivity
80.69
TPSA
92.42
LogP / Solubility
WLOGP
0.88
MLOGP
0.78
XLogP3
-1.6
Consensus LogP
0.02
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly 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)
-3.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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