CAS RN: 511272-31-4
FMOC-(R)-3-AMINO-3-(2-METHOXY-PHENYL)-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.20250820 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS511272-31-4
- Purity/Analytical Methods: >99.0%
511272-31-4 / (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-methoxyphenyl)propanoic acid
Basic Information
CAS
511272-31-4
Multi CAS
Yes
Molecular Formula
C25H23NO5
Molecular Weight
417.500000
Exact Mass
417.157623
InChI
InChI=1S/C25H23NO5/c1-30-23-13-7-6-12-20(23)22(14-24(27)28)26-25(29)31-15-21-18-10-4-2-8-16(18)17-9-3-5-11-19(17)21/h2-13,21-22H,14-15H2,1H3,(H,26,29)(H,27,28)/t22-/m1/s1
InChIKey
JMHQFXYSVGDAGJ-JOCHJYFZSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
116.19
TPSA
84.86
LogP / Solubility
WLOGP
4.75
MLOGP
4.21
XLogP3
4.1
Consensus LogP
4.35
Log S (ESOL)
-5.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.16
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)
-1.89
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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