CAS RN: 1417789-17-3
(S)-Fmoc-2-amino-5-(tritylthio)-pentanoic acid
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260218 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-052452
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1417789-17-3 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-tritylsulfanylpentanoic acid
Basic Information
CAS
1417789-17-3
Multi CAS
No
Molecular Formula
C39H35NO4S
Molecular Weight
613.800000
Exact Mass
613.228680
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCC[C@@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C39H35NO4S/c41-37(42)36(40-38(43)44-27-35-33-23-12-10-21-31(33)32-22-11-13-24-34(32)35)25-14-26-45-39(28-15-4-1-5-16-28,29-17-6-2-7-18-29)30-19-8-3-9-20-30/h1-13,15-24,35-36H,14,25-27H2,(H,40,43)(H,41,42)/t36-/m0/s1
InChIKey
POEDPRJPBCNZHB-BHVANESWSA-N
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
30
Fraction Csp3
0.18
Rotatable bonds
12
H-bond acceptors
4
H-bond donors
2
Molar refractivity
180.53
TPSA
75.63
LogP / Solubility
WLOGP
8.48
MLOGP
7.52
XLogP3
8.7
Consensus LogP
8.23
Log S (ESOL)
-8.69
Class (ESOL)
Insoluble
Log S (Ali)
-10.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.13
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)
-0.44
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
6
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