![CAS 2305253-84-1 2-{1-[(tert-butoxy)carbonyl]azetidin-3-yl}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)aceticacid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2305253-84-1.gif)
CAS RN: 2305253-84-1
2-{1-[(tert-butoxy)carbonyl]azetidin-3-yl}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)aceticacid
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.20250406 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS2305253-84-1
- Purity/Analytical Methods: >99.0%
2305253-84-1 / 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
Basic Information
CAS
2305253-84-1
Multi CAS
No
Molecular Formula
C25H28N2O6
Molecular Weight
452.500000
Exact Mass
452.194737
SMILES
CC(C)(C)OC(=O)N1CC(C1)C(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H28N2O6/c1-25(2,3)33-24(31)27-12-15(13-27)21(22(28)29)26-23(30)32-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20-21H,12-14H2,1-3H3,(H,26,30)(H,28,29)
InChIKey
CVGJPLBSALWEQV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
120.93
TPSA
105.17
LogP / Solubility
WLOGP
3.85
MLOGP
3.41
XLogP3
3.6
Consensus LogP
3.62
Log S (ESOL)
-5.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.39
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)
-2.75
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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