![CAS 882847-27-0 FMOC-N-[2-(TRITYLMERCAPTO)ETHYL]-GLYCINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/882847-27-0.gif)
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥99%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥99% | 0 Out of Stock | Hong Kong | Inquiry |
882847-27-0 / 2-[9H-fluoren-9-ylmethoxycarbonyl(2-tritylsulfanylethyl)amino]acetic acid
Basic Information
CAS
882847-27-0
Multi CAS
No
Molecular Formula
C38H33NO4S
Molecular Weight
599.700000
Exact Mass
599.213030
InChI
InChI=1S/C38H33NO4S/c40-36(41)26-39(37(42)43-27-35-33-22-12-10-20-31(33)32-21-11-13-23-34(32)35)24-25-44-38(28-14-4-1-5-15-28,29-16-6-2-7-17-29)30-18-8-3-9-19-30/h1-23,35H,24-27H2,(H,40,41)
InChIKey
UJSOKTVPMWHIDT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
30
Fraction Csp3
0.16
Rotatable bonds
11
H-bond acceptors
4
H-bond donors
1
Molar refractivity
175.94
TPSA
66.84
LogP / Solubility
WLOGP
8.05
MLOGP
7.13
XLogP3
8.2
Consensus LogP
7.79
Log S (ESOL)
-8.41
Class (ESOL)
Insoluble
Log S (Ali)
-10.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.56
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)
-0.66
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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