CAS RN: 489427-26-1
17-(Fmoc-amino)-5-oxo-6-aza-3,9,12,15-tetraoxaheptadecanoic Acid
- Product code: SSC-155469
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 | Shenzhen | Inquiry |
489427-26-1 / 2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid
Basic Information
CAS
489427-26-1
Multi CAS
No
Molecular Formula
C27H34N2O9
Molecular Weight
530.600000
Exact Mass
530.226431
InChI
InChI=1S/C27H34N2O9/c30-25(18-37-19-26(31)32)28-9-11-34-13-15-36-16-14-35-12-10-29-27(33)38-17-24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-8,24H,9-19H2,(H,28,30)(H,29,33)(H,31,32)
InChIKey
FUSNDBPWHVPFDU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
18
H-bond acceptors
8
H-bond donors
3
Molar refractivity
136.99
TPSA
141.65
LogP / Solubility
WLOGP
1.79
MLOGP
1.62
XLogP3
1.4
Consensus LogP
1.6
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.76
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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