CAS RN: 121697-35-6
FMOC-ILE-OSU
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.20260313 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS121697-35-6
- Purity/Analytical Methods: >99.0%
121697-35-6 / (2,5-dioxopyrrolidin-1-yl) (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate
Basic Information
CAS
121697-35-6
Multi CAS
No
Molecular Formula
C25H26N2O6
Molecular Weight
450.500000
Exact Mass
450.179087
SMILES
CC[C@H](C)[C@@H](C(=O)ON1C(=O)CCC1=O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H26N2O6/c1-3-15(2)23(24(30)33-27-21(28)12-13-22(27)29)26-25(31)32-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20,23H,3,12-14H2,1-2H3,(H,26,31)/t15-,23-/m0/s1
InChIKey
XPCMQYXXCGKJHT-WNSKOXEYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
1
Molar refractivity
118.63
TPSA
102.01
LogP / Solubility
WLOGP
3.55
MLOGP
3.15
XLogP3
3.8
Consensus LogP
3.5
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.37
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)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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