CAS RN: 126587-35-7
(S)-METHYL 4-(TERT-BUTOXYCARBONYLAMINO)-5-HYDROXYPENTANOATE
- Product code: SSC-033629
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, 0.1g, 5g, 10g, 0.25g
- Available purity: >95%
- Inventory rows with stock: 10
- 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 | Beijing | Inquiry |
| 1g | >95% | 5 In Stock | Beijing | Inquiry |
| 0.1g | -- | 4 In Stock | Shanghai | Inquiry |
| 0.1g | >95% | 4 In Stock | Shenzhen | Inquiry |
| 5g | -- | 4 In Stock | Beijing | Inquiry |
| 5g | >95% | 4 In Stock | Hong Kong | Inquiry |
| 10g | -- | 4 In Stock | Shanghai | Inquiry |
| 10g | >95% | 4 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 3 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 3 In Stock | Shenzhen | Inquiry |
126587-35-7 / methyl (4S)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
Basic Information
CAS
126587-35-7
Multi CAS
No
Molecular Formula
C11H21NO5
Molecular Weight
247.290000
Exact Mass
247.141973
SMILES
CC(C)(C)OC(=O)N[C@@H](CCC(=O)OC)CO
InChI
InChI=1S/C11H21NO5/c1-11(2,3)17-10(15)12-8(7-13)5-6-9(14)16-4/h8,13H,5-7H2,1-4H3,(H,12,15)/t8-/m0/s1
InChIKey
SRVJJSKMYILGAM-QMMMGPOBSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
61.49
TPSA
84.86
LogP / Solubility
WLOGP
0.83
MLOGP
0.73
XLogP3
0.5
Consensus LogP
0.69
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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