CAS RN: 270065-69-5
FMOC-(S)-3-AMINO-4-(4-PYRIDYL)-BUTYRIC 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.20250116 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS270065-69-5
- Purity/Analytical Methods: >99.0%
270065-69-5 / (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridin-4-ylbutanoic acid
Basic Information
CAS
270065-69-5
Multi CAS
No
Molecular Formula
C24H22N2O4
Molecular Weight
402.400000
Exact Mass
402.157957
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=NC=C4)CC(=O)O
InChI
InChI=1S/C24H22N2O4/c27-23(28)14-17(13-16-9-11-25-12-10-16)26-24(29)30-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,17,22H,13-15H2,(H,26,29)(H,27,28)/t17-/m0/s1
InChIKey
ZHEGVQVHZCLRTM-KRWDZBQOSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.21
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
112.19
TPSA
88.52
LogP / Solubility
WLOGP
4.01
MLOGP
3.55
XLogP3
3.5
Consensus LogP
3.69
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.44
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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