CAS RN: 125760-26-1
N-(9-Fluorenylmethoxycarbonyl)-L-serine Phenacyl Ester
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.20260611 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS125760-26-1
- Purity/Analytical Methods: >99.0%
125760-26-1 / phenacyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoate
Basic Information
CAS
125760-26-1
Multi CAS
No
Molecular Formula
C26H23NO6
Molecular Weight
445.500000
Exact Mass
445.152537
SMILES
C1=CC=C(C=C1)C(=O)COC(=O)[C@H](CO)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C26H23NO6/c28-14-23(25(30)32-16-24(29)17-8-2-1-3-9-17)27-26(31)33-15-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23,28H,14-16H2,(H,27,31)/t23-/m0/s1
InChIKey
PYOVUIPZMRWLQC-QHCPKHFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.19
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
2
Molar refractivity
120.81
TPSA
101.93
LogP / Solubility
WLOGP
3.31
MLOGP
2.94
XLogP3
3.7
Consensus LogP
3.32
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.26
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)
-3.09
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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