CAS RN: 1830-54-2
Dimethyl 1,3-Acetonedicarboxylate
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-084682
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: 5g, 10g, 25g, 100g, 500g, 1000g
- Available purity: >95%
- 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 |
|---|---|---|---|---|
| 5g | >95% | 5 In Stock | Shanghai | Inquiry |
| 10g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 25g | >95% | 5 In Stock | Beijing | Inquiry |
| 100g | >95% | 5 In Stock | Beijing | Inquiry |
| 500g | >95% | 5 In Stock | Shanghai | Inquiry |
| 1000g | >95% | 5 In Stock | Shenzhen | Inquiry |
1830-54-2 / dimethyl 3-oxopentanedioate
Basic Information
CAS
1830-54-2
Multi CAS
No
Molecular Formula
C7H10O5
Molecular Weight
174.150000
Exact Mass
174.052823
SMILES
COC(=O)CC(=O)CC(=O)OC
InChI
InChI=1S/C7H10O5/c1-11-6(9)3-5(8)4-7(10)12-2/h3-4H2,1-2H3
InChIKey
RNJOKCPFLQMDEC-UHFFFAOYSA-N
Physical Properties
Physical Description
Light yellow liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
38.27
TPSA
69.67
LogP / Solubility
WLOGP
-0.32
MLOGP
-0.28
Consensus LogP
-0.2
Log S (ESOL)
-0.46
Class (ESOL)
Very soluble
Log S (Ali)
-0.76
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.01
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)
-4.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (97%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501
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