![CAS 2035034-29-6 (2S)-2-[[[(1R)-1-amino-3-phenyl-propyl]-hydroxy-phosphoryl]methyl]-4-methyl-pentanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2035034-29-6.png)
CAS RN: 2035034-29-6
(2S)-2-[[[(1R)-1-amino-3-phenyl-propyl]-hydroxy-phosphoryl]methyl]-4-methyl-pentanoic acid
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.20250518 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS2035034-29-6
- Purity/Analytical Methods: >99.0%
2035034-29-6 / (2S)-2-[[[(1R)-1-amino-3-phenylpropyl]-hydroxyphosphoryl]methyl]-4-methylpentanoic acid
Basic Information
CAS
2035034-29-6
Multi CAS
No
Molecular Formula
C16H26NO4P
Molecular Weight
327.360000
Exact Mass
327.159945
SMILES
CC(C)C[C@H](CP(=O)([C@H](CCC1=CC=CC=C1)N)O)C(=O)O
InChI
InChI=1S/C16H26NO4P/c1-12(2)10-14(16(18)19)11-22(20,21)15(17)9-8-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,17H2,1-2H3,(H,18,19)(H,20,21)/t14-,15-/m1/s1
InChIKey
NZXLYBZSLDXCGM-HUUCEWRRSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
9
H-bond acceptors
3
H-bond donors
3
Molar refractivity
88.01
TPSA
100.62
LogP / Solubility
WLOGP
2.92
MLOGP
2.59
XLogP3
-0.6
Consensus LogP
1.64
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.29
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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