![CAS 198134-12-2 L-Glutamine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-phenyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/198134-12-2.gif)
CAS RN: 198134-12-2
L-Glutamine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-phenyl-
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250912 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS198134-12-2
- Purity/Analytical Methods: >99.0%
198134-12-2 / (2S)-5-amino-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]-5-oxopentanoic acid
Basic Information
CAS
198134-12-2
Multi CAS
No
Molecular Formula
C26H24N2O5
Molecular Weight
444.500000
Exact Mass
444.168522
SMILES
C1=CC=C(C=C1)N([C@@H](CCC(=O)N)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C26H24N2O5/c27-24(29)15-14-23(25(30)31)28(17-8-2-1-3-9-17)26(32)33-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16H2,(H2,27,29)(H,30,31)/t23-/m0/s1
InChIKey
WPQPXNGSEAVSGB-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
4
H-bond donors
2
Molar refractivity
123.84
TPSA
109.93
LogP / Solubility
WLOGP
4.16
MLOGP
3.69
XLogP3
3.6
Consensus LogP
3.82
Log S (ESOL)
-5.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.96
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)
-2.48
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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