CAS RN: 193633-60-2
(R,S)-BOC-3-AMINO-3-(BIPHENYL)-PROPIONIC 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.20251115 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS193633-60-2
- Purity/Analytical Methods: >99.0%
193633-60-2 / 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoic acid
Basic Information
CAS
193633-60-2
Multi CAS
No
Molecular Formula
C20H23NO4
Molecular Weight
341.400000
Exact Mass
341.162708
SMILES
CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C20H23NO4/c1-20(2,3)25-19(24)21-17(13-18(22)23)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,17H,13H2,1-3H3,(H,21,24)(H,22,23)
InChIKey
ZWLSFMKIYINIHZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
96.24
TPSA
75.63
LogP / Solubility
WLOGP
4.39
MLOGP
3.88
XLogP3
3.6
Consensus LogP
3.96
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.13
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68
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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