CAS RN: 276262-71-6
FMOC-DL-3-(3-BROMOPHENYL)-3-AMINO-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.20260513 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS276262-71-6
- Purity/Analytical Methods: >99.0%
276262-71-6 / 3-(3-bromophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Basic Information
CAS
276262-71-6
Multi CAS
No
Molecular Formula
C24H20BrNO4
Molecular Weight
466.300000
Exact Mass
465.057570
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC(=O)O)C4=CC(=CC=C4)Br
InChI
InChI=1S/C24H20BrNO4/c25-16-7-5-6-15(12-16)22(13-23(27)28)26-24(29)30-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)
InChIKey
KGNRGFVZQISFCT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
117.34
TPSA
75.63
LogP / Solubility
WLOGP
5.5
MLOGP
4.88
XLogP3
4.8
Consensus LogP
5.06
Log S (ESOL)
-6.25
Class (ESOL)
Insoluble
Log S (Ali)
-7.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.98
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)
-1.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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