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, 1g, 100g, 25g, 500g
- Available purity: >97%
- Inventory rows with stock: 4
- 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 | >97% | 5 In Stock | Shanghai | Inquiry |
| 10g | >97% | 5 In Stock | Beijing | Inquiry |
| 1g | >97% | 3 In Stock | Shenzhen | Inquiry |
| 100g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 25g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 500g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
1490-25-1 / methyl 4-chloro-4-oxobutanoate
Basic Information
CAS
1490-25-1
Multi CAS
No
Molecular Formula
C5H7ClO3
Molecular Weight
150.560000
Exact Mass
150.008372
SMILES
COC(=O)CCC(=O)Cl
InChI
InChI=1S/C5H7ClO3/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3
InChIKey
SRXOJMOGPYFZKC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
32.11
TPSA
43.37
LogP / Solubility
WLOGP
0.7
MLOGP
0.61
XLogP3
1
Consensus LogP
0.77
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
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)
-3.14
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)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
