![CAS 1310680-44-4 (9H-Fluoren-9-yl)MethOxy]Carbonyl D-Dbu(Boc)-OH molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1310680-44-4.gif)
CAS RN: 1310680-44-4
(9H-Fluoren-9-yl)MethOxy]Carbonyl D-Dbu(Boc)-OH
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.20260512 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1310680-44-4
- Purity/Analytical Methods: >99.0%
1310680-44-4 / (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Basic Information
CAS
1310680-44-4
Multi CAS
No
Molecular Formula
C24H28N2O6
Molecular Weight
440.500000
Exact Mass
440.194737
SMILES
CC(C)(C)OC(=O)NC[C@H](CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C24H28N2O6/c1-24(2,3)32-22(29)25-13-15(12-21(27)28)26-23(30)31-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20H,12-14H2,1-3H3,(H,25,29)(H,26,30)(H,27,28)/t15-/m0/s1
InChIKey
KUNBFIUWYNXGCJ-HNNXBMFYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
3
Molar refractivity
118.48
TPSA
113.96
LogP / Solubility
WLOGP
3.89
MLOGP
3.45
XLogP3
3.3
Consensus LogP
3.55
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.59
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.64
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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