![CAS 2231664-19-8 (2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(1-methylcyclobutyl)propanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2231664-19-8.gif)
CAS RN: 2231664-19-8
(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(1-methylcyclobutyl)propanoic acid
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.20260213 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS2231664-19-8
- Purity/Analytical Methods: >99.0%
2231664-19-8 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-methylcyclobutyl)propanoic acid
Basic Information
CAS
2231664-19-8
Multi CAS
No
Molecular Formula
C23H25NO4
Molecular Weight
379.400000
Exact Mass
379.178358
SMILES
CC1(CCC1)C[C@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C23H25NO4/c1-23(11-6-12-23)13-20(21(25)26)24-22(27)28-14-19-17-9-4-2-7-15(17)16-8-3-5-10-18(16)19/h2-5,7-10,19-20H,6,11-14H2,1H3,(H,24,27)(H,25,26)/t20-/m1/s1
InChIKey
AFMLUKXMCIVXBQ-HXUWFJFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
106.2
TPSA
75.63
LogP / Solubility
WLOGP
4.56
MLOGP
4.03
XLogP3
5.1
Consensus LogP
4.56
Log S (ESOL)
-4.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.63
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.8
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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