CAS RN: 160111-41-1
N-Fmoc-5-aminolevulinic acid
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-068088
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 |
160111-41-1 / 5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxopentanoic acid
Basic Information
CAS
160111-41-1
Multi CAS
No
Molecular Formula
C20H19NO5
Molecular Weight
353.400000
Exact Mass
353.126323
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC(=O)CCC(=O)O
InChI
InChI=1S/C20H19NO5/c22-13(9-10-19(23)24)11-21-20(25)26-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18H,9-12H2,(H,21,25)(H,23,24)
InChIKey
OLPYMFLIIGLEOU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
94.95
TPSA
92.7
LogP / Solubility
WLOGP
2.96
MLOGP
2.62
XLogP3
2.2
Consensus LogP
2.59
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.25
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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