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, 500g, 1000g
- Available purity: ≥97%
- Inventory rows with stock: 3
- 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 | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 5g | ≥97% | 3 In Stock | Shenzhen | Inquiry |
| 10g | ≥97% | 2 In Stock | Beijing | Inquiry |
| 25g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
| 100g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
| 500g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
| 1000g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
47173-80-8 / (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoic acid
Basic Information
CAS
47173-80-8
Multi CAS
Yes
Molecular Formula
C15H21NO5
Molecular Weight
295.330000
Exact Mass
295.141973
InChI
InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(17)18)10-20-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChIKey
DMBKPDOAQVGTST-LBPRGKRZSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
76.89
TPSA
84.86
LogP / Solubility
WLOGP
2.18
MLOGP
1.93
XLogP3
1.9
Consensus LogP
2
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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