CAS RN: 171110-72-8
(2S,4S)-1-tert-Butyl 2-methyl 4-aminopyrrolidine-1,2-dicarboxylate hydrochloride
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-075389
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: 0.25g, 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 |
|---|---|---|---|---|
| 0.25g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 1g | >97% | 5 In Stock | Shanghai | Inquiry |
| 5g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 10g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 25g | >97% | 5 In Stock | Shanghai | Inquiry |
| 100g | >97% | 0 Out of Stock | Beijing | Inquiry |
171110-72-8 / 1-O-tert-butyl 2-O-methyl (2S,4S)-4-aminopyrrolidine-1,2-dicarboxylate;hydrochloride
Basic Information
CAS
171110-72-8
Multi CAS
No
Molecular Formula
C11H21ClN2O4
Molecular Weight
280.750000
Exact Mass
280.118985
SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)OC)N.Cl
InChI
InChI=1S/C11H20N2O4.ClH/c1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4;/h7-8H,5-6,12H2,1-4H3;1H/t7-,8-;/m0./s1
InChIKey
KFYCQKLSGMAVQH-WSZWBAFRSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
68.58
TPSA
81.86
LogP / Solubility
WLOGP
0.92
MLOGP
0.82
XLogP3
0.92
Consensus LogP
0.89
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-3.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
3,8-DIOXO-2,3,5,6,7,8-HEXAHYDRO-4-ISOQUINOLINECARBOXAMIDE
- CAS RN: 171113-31-8
- Product Code: starshine_CAS171113-31-8
- Purity/Analytical method: >99.0%
-
-
-
-
7-Fluoropyrido[4,3-d]pyriMidin-4(1H)-one
- CAS RN: 171178-37-3
- Product Code: starshine_CAS171178-37-3
- Purity/Analytical method: >99.0%
-
![CAS 171178-33-9 6-chloropyrido[3,2-d]pyrimidin-4(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/171178-33-9.gif)
![CAS 171178-37-3 7-Fluoropyrido[4,3-d]pyriMidin-4(1H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/171178-37-3.gif)
