CAS RN: 204322-11-2
FMOC-3-AMINO-1-CARBOXYMETHYL-PYRIDIN-2-ONE
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.20260421 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS204322-11-2
- Purity/Analytical Methods: >99.0%
204322-11-2 / 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxo-1-pyridinyl]acetic acid
Basic Information
CAS
204322-11-2
Multi CAS
No
Molecular Formula
C22H18N2O5
Molecular Weight
390.400000
Exact Mass
390.121572
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=CC=CN(C4=O)CC(=O)O
InChI
InChI=1S/C22H18N2O5/c25-20(26)12-24-11-5-10-19(21(24)27)23-22(28)29-13-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-11,18H,12-13H2,(H,23,28)(H,25,26)
InChIKey
FFXBMPRBLHRCQW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
107.03
TPSA
97.63
LogP / Solubility
WLOGP
3.29
MLOGP
2.92
XLogP3
2.9
Consensus LogP
3.04
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
Class (SILICOS-IT)
Slightly soluble
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)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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