CAS RN: 2255321-26-5
N2-（(9H-fluoren-9-ylmethoxy)carbonyl）-N,N,N2-trimethyl-L-G
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251220 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2255321-26-5
- Purity/Analytical Methods: >99.0%
2255321-26-5 / (2S)-5-(dimethylamino)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-oxopentanoic acid
Basic Information
CAS
2255321-26-5
Multi CAS
No
Molecular Formula
C23H26N2O5
Molecular Weight
410.500000
Exact Mass
410.184172
SMILES
CN(C)C(=O)CC[C@@H](C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C23H26N2O5/c1-24(2)21(26)13-12-20(22(27)28)25(3)23(29)30-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,27,28)/t20-/m0/s1
InChIKey
GAHAJEVCPAGBKY-FQEVSTJZSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
112.18
TPSA
87.15
LogP / Solubility
WLOGP
3.19
MLOGP
2.83
XLogP3
2.7
Consensus LogP
2.91
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.81
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)
-2.96
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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