CAS RN: 929101-56-4
(2S,3S)-FMOC-MPC(TRT)-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.20260611 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS929101-56-4
- Purity/Analytical Methods: >99.0%
929101-56-4 / (2S,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-tritylsulfanylpyrrolidine-2-carboxylic acid
Basic Information
CAS
929101-56-4
Multi CAS
Yes
Molecular Formula
C39H33NO4S
Molecular Weight
611.700000
Exact Mass
611.213030
InChI
InChI=1S/C39H33NO4S/c41-37(42)36-24-30(25-40(36)38(43)44-26-35-33-22-12-10-20-31(33)32-21-11-13-23-34(32)35)45-39(27-14-4-1-5-15-27,28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-23,30,35-36H,24-26H2,(H,41,42)/t30-,36-/m0/s1
InChIKey
CHBJBMXEGJSHBN-ARPOTICCSA-N
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
30
Fraction Csp3
0.18
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
178.4
TPSA
66.84
LogP / Solubility
WLOGP
8.19
MLOGP
7.26
XLogP3
8.4
Consensus LogP
7.95
Log S (ESOL)
-8.76
Class (ESOL)
Insoluble
Log S (Ali)
-10.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.39
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.64
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
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![CAS 929103-36-6 4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/929103-36-6.gif)
