![CAS 1260093-07-9 (9H-Fluoren-9-yl)MethOxy]Carbonyl Asn(Trt)-Gly-OH molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1260093-07-9.gif)
CAS RN: 1260093-07-9
(9H-Fluoren-9-yl)MethOxy]Carbonyl Asn(Trt)-Gly-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.20260424 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-031519
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 | Beijing | Inquiry |
1260093-07-9 / 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(tritylamino)butanoyl]amino]acetic acid
Basic Information
CAS
1260093-07-9
Multi CAS
No
Molecular Formula
C40H35N3O6
Molecular Weight
653.700000
Exact Mass
653.252586
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)CC(C(=O)NCC(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C40H35N3O6/c44-36(43-40(27-14-4-1-5-15-27,28-16-6-2-7-17-28)29-18-8-3-9-19-29)24-35(38(47)41-25-37(45)46)42-39(48)49-26-34-32-22-12-10-20-30(32)31-21-11-13-23-33(31)34/h1-23,34-35H,24-26H2,(H,41,47)(H,42,48)(H,43,44)(H,45,46)
InChIKey
JFOXWBJMZIUSFE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
49
Aromatic heavy atom count
30
Fraction Csp3
0.15
Rotatable bonds
12
H-bond acceptors
5
H-bond donors
4
Molar refractivity
184.61
TPSA
133.83
LogP / Solubility
WLOGP
5.59
MLOGP
4.98
XLogP3
6
Consensus LogP
5.52
Log S (ESOL)
-7.08
Class (ESOL)
Insoluble
Log S (Ali)
-8.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.99
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.74
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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