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CAS 2163-48-6 Diethyl propylmalonate molecular structure lightbox
CAS RN: 2163-48-6

Diethyl propylmalonate

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250322 100g In stock Inquiry
Batchno.20250722 10g In stock Inquiry
Batchno.20250711 25g In stock Inquiry
Batchno.20250331 500g Out of stock Inquiry
Batchno.20250315 5g In stock Inquiry
  • Product code: SSC-103650
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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: 10g, 25g, 5g, 100g
  • Available purity: ≥99%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2163-48-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥99% 5 In Stock Beijing Inquiry
25g ≥99% 4 In Stock Beijing Inquiry
5g ≥99% 1 In Stock Shanghai Inquiry
100g ≥99% 0 Out of Stock Shanghai Inquiry

2163-48-6 / diethyl 2-propylpropanedioate

Standard CAS: 2163-48-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2163-48-6
Multi CAS
No
Molecular Formula
C10H18O4
Molecular Weight
202.250000
Exact Mass
202.120509
SMILES
CCCC(C(=O)OCC)C(=O)OCC
InChI
InChI=1S/C10H18O4/c1-4-7-8(9(11)13-5-2)10(12)14-6-3/h8H,4-7H2,1-3H3
InChIKey
GRRSDGHTSMJICM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
51.66
TPSA
52.6

LogP / Solubility

WLOGP
1.53
MLOGP
1.35
XLogP3
2.3
Consensus LogP
1.73
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately 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)
-2.87

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

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