CAS RN: 959581-71-6
FMOC-(R)-3-AMINO-3-(6-METHOXY-3-PYRIDYL)-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.20251116 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS959581-71-6
- Purity/Analytical Methods: >99.0%
959581-71-6 / (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-methoxy-3-pyridinyl)propanoic acid
Basic Information
CAS
959581-71-6
Multi CAS
Yes
Molecular Formula
C24H22N2O5
Molecular Weight
418.400000
Exact Mass
418.152872
InChI
InChI=1S/C24H22N2O5/c1-30-22-11-10-15(13-25-22)21(12-23(27)28)26-24(29)31-14-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-11,13,20-21H,12,14H2,1H3,(H,26,29)(H,27,28)/t21-/m1/s1
InChIKey
XSOWGPXMQMVHDC-OAQYLSRUSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.21
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
113.99
TPSA
97.75
LogP / Solubility
WLOGP
4.14
MLOGP
3.67
XLogP3
3.3
Consensus LogP
3.7
Log S (ESOL)
-5.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.66
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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