CAS RN: 2411591-20-1
Boc-(R)-3-amino-4-(4′-biphenyl)butanoic 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.20260525 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2411591-20-1
- Purity/Analytical Methods: >99.0%
2411591-20-1 / 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-phenylphenyl)butanoic acid
Basic Information
CAS
2411591-20-1
Multi CAS
No
Molecular Formula
C21H25NO4
Molecular Weight
355.400000
Exact Mass
355.178358
SMILES
CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C2=CC=CC=C2)CC(=O)O
InChI
InChI=1S/C21H25NO4/c1-21(2,3)26-20(25)22-18(14-19(23)24)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3,(H,22,25)(H,23,24)/t18-/m1/s1
InChIKey
SHRZMJHRBQEGBC-GOSISDBHSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
100.99
TPSA
75.63
LogP / Solubility
WLOGP
4.26
MLOGP
3.77
XLogP3
4.1
Consensus LogP
4.04
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.23
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
Yes
Log Kp (skin permeation)
-1.86
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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