![CAS 2444356-83-4 L-Glutamic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-, 1-(1,1-dimethylethyl) ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2444356-83-4.gif)
CAS RN: 2444356-83-4
L-Glutamic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-, 1-(1,1-dimethylethyl) 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.20260626 | 200mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2444356-83-4
- Purity/Analytical Methods: >99.0%
2444356-83-4 / (4S)-4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
Basic Information
CAS
2444356-83-4
Multi CAS
No
Molecular Formula
C25H29NO6
Molecular Weight
439.500000
Exact Mass
439.199488
SMILES
CC(C)(C)OC(=O)[C@H](CCC(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C25H29NO6/c1-25(2,3)32-23(29)21(13-14-22(27)28)26(4)24(30)31-15-20-18-11-7-5-9-16(18)17-10-6-8-12-19(17)20/h5-12,20-21H,13-15H2,1-4H3,(H,27,28)/t21-/m0/s1
InChIKey
CQSYAKGKSSJEII-NRFANRHFSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
119.33
TPSA
93.14
LogP / Solubility
WLOGP
4.44
MLOGP
3.94
XLogP3
4
Consensus LogP
4.13
Log S (ESOL)
-5.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.04
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)
-2.25
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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