CAS RN: 84771-20-0
FMOC-TRP-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.20250225 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS84771-20-0
- Purity/Analytical Methods: >99.0%
84771-20-0 / (2,5-dioxopyrrolidin-1-yl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoate
Basic Information
CAS
84771-20-0
Multi CAS
Yes
Molecular Formula
C30H25N3O6
Molecular Weight
523.500000
Exact Mass
523.174336
InChI
InChI=1S/C30H25N3O6/c34-27-13-14-28(35)33(27)39-29(36)26(15-18-16-31-25-12-6-5-7-19(18)25)32-30(37)38-17-24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-12,16,24,26,31H,13-15,17H2,(H,32,37)/t26-/m0/s1
InChIKey
WWQYTEPUEUNBOM-SANMLTNESA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
21
Fraction Csp3
0.2
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
141.17
TPSA
117.8
LogP / Solubility
WLOGP
4.22
MLOGP
3.76
XLogP3
4.2
Consensus LogP
4.06
Log S (ESOL)
-5.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.41
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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