CAS RN: 37169-36-1
(S)-Methyl 2-((tert-butoxycarbonyl)aMino)-3-(3,4-dihydroxyphenyl)propanoate
- Product code: SSC-144488
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
- Available purity: ≥97%
- Inventory rows with stock: 6
- 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% | 5 In Stock | Shenzhen | Inquiry |
| 10g | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 25g | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 100g | ≥97% | 5 In Stock | Shanghai | Inquiry |
| 500g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
37169-36-1 / methyl 3-(3,4-dihydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Basic Information
CAS
37169-36-1
Multi CAS
Yes
Molecular Formula
C15H21NO6
Molecular Weight
311.330000
Exact Mass
311.136887
InChI
InChI=1S/C15H21NO6/c1-15(2,3)22-14(20)16-10(13(19)21-4)7-9-5-6-11(17)12(18)8-9/h5-6,8,10,17-18H,7H2,1-4H3,(H,16,20)/t10-/m0/s1
InChIKey
VURIGNDVTSFLOU-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
3
Molar refractivity
78.65
TPSA
105.09
LogP / Solubility
WLOGP
1.71
MLOGP
1.52
XLogP3
1.4
Consensus LogP
1.54
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly 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)
-3.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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