CAS RN: 159634-89-6
N-2-(3-BENZYLOXY PRIOPIONIC ACID)-2-(N-T-BUTOXYCAR
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.20251009 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS159634-89-6
- Purity/Analytical Methods: >99.0%
159634-89-6 / (2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-phenylmethoxypropanoic acid
Basic Information
CAS
159634-89-6
Multi CAS
No
Molecular Formula
C19H28N2O6
Molecular Weight
380.400000
Exact Mass
380.194737
SMILES
CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@H](COCC1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C19H28N2O6/c1-18(2,3)27-17(25)21-19(4,5)16(24)20-14(15(22)23)12-26-11-13-9-7-6-8-10-13/h6-10,14H,11-12H2,1-5H3,(H,20,24)(H,21,25)(H,22,23)/t14-/m1/s1
InChIKey
MSSOZMTZHUAWDU-CQSZACIVSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
3
Molar refractivity
99.11
TPSA
113.96
LogP / Solubility
WLOGP
2.08
MLOGP
1.85
XLogP3
1.8
Consensus LogP
1.91
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
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)
-3.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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