Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g, 100g
- Available purity: ＞97%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | -- | 5 In Stock | Shanghai | Inquiry |
| 5g | -- | 5 In Stock | Shanghai | Inquiry |
| 10g | -- | 5 In Stock | Shanghai | Inquiry |
| 25g | -- | 5 In Stock | Shenzhen | Inquiry |
| 100g | -- | 5 In Stock | Beijing | Inquiry |
| 25g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
147290-11-7 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(prop-2-enoxycarbonylamino)pentanoic acid
Basic Information
CAS
147290-11-7
Multi CAS
No
Molecular Formula
C24H26N2O6
Molecular Weight
438.500000
Exact Mass
438.179087
SMILES
C=CCOC(=O)NCCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C24H26N2O6/c1-2-14-31-23(29)25-13-7-12-21(22(27)28)26-24(30)32-15-20-18-10-5-3-8-16(18)17-9-4-6-11-19(17)20/h2-6,8-11,20-21H,1,7,12-15H2,(H,25,29)(H,26,30)(H,27,28)/t21-/m0/s1
InChIKey
RXLIOYNXBHZZBI-NRFANRHFSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
3
Molar refractivity
118.41
TPSA
113.96
LogP / Solubility
WLOGP
3.67
MLOGP
3.26
XLogP3
3.8
Consensus LogP
3.58
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.76
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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