CAS RN: 1174157-65-3
Propargyl-succinimidyl-ester
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
- Product code: SSC-017289
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: 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 8
- 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 |
|---|---|---|---|---|
| 0.1g | -- | 2 In Stock | Hong Kong | Inquiry |
| 0.1g | >95% | 2 In Stock | Beijing | Inquiry |
| 0.25g | -- | 2 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 2 In Stock | Shenzhen | Inquiry |
| 1g | -- | 2 In Stock | Beijing | Inquiry |
| 1g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 5g | -- | 2 In Stock | Beijing | Inquiry |
| 5g | >95% | 2 In Stock | Beijing | Inquiry |
1174157-65-3 / (2,5-dioxopyrrolidin-1-yl) 3-prop-2-ynoxypropanoate
2,5-DIOXOPYRROLIDIN-1-YL 3-(PROP-2-YN-1-YLOXY)PROPANOATE | RefChem:444658 | 851-498-9
Basic Information
CAS
1174157-65-3
Multi CAS
Yes
Molecular Formula
C10H11NO5
Molecular Weight
225.200000
Exact Mass
225.063722
SMILES
C#CCOCCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C10H11NO5/c1-2-6-15-7-5-10(14)16-11-8(12)3-4-9(11)13/h1H,3-7H2
InChIKey
WKIKHHMUNOVQLD-UHFFFAOYSA-N
Synonyms
2,5-DIOXOPYRROLIDIN-1-YL 3-(PROP-2-YN-1-YLOXY)PROPANOATE
RefChem:444658
851-498-9
Propargyl-PEG1-NHS ester
N-Succinimidyl 3-(propargyloxy)propionate
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
51.45
TPSA
72.91
LogP / Solubility
WLOGP
-0.37
MLOGP
-0.32
XLogP3
-0.9
Consensus LogP
-0.53
Log S (ESOL)
-0.68
Class (ESOL)
Very soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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
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