[email protected]
CAS 13195-64-7 Diisopropyl malonate molecular structure lightbox
CAS RN: 13195-64-7

Diisopropyl malonate

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260503 100ml In stock Inquiry
Batchno.20251129 25ml In stock Inquiry
Batchno.20250507 500ml In stock Inquiry
  • Product code: SSC-039010
GET A QUOTE
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: 25ml, 100ml, 500ml, 1000ml
  • Available purity: ≥98%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 13195-64-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25ml -- 5 In Stock Hong Kong Inquiry
25ml ≥98% 5 In Stock Beijing Inquiry
100ml -- 5 In Stock Shanghai Inquiry
100ml ≥98% 5 In Stock Hong Kong Inquiry
500ml -- 1 In Stock Hong Kong Inquiry
500ml ≥98% 1 In Stock Beijing Inquiry
1000ml -- 0 Out of Stock Hong Kong Inquiry

13195-64-7 / dipropan-2-yl propanedioate

Standard CAS: 13195-64-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13195-64-7
Multi CAS
No
Molecular Formula
C9H16O4
Molecular Weight
188.220000
Exact Mass
188.104859
SMILES
CC(C)OC(=O)CC(=O)OC(C)C
InChI
InChI=1S/C9H16O4/c1-6(2)12-8(10)5-9(11)13-7(3)4/h6-7H,5H2,1-4H3
InChIKey
QRVSDVDFJFKYKA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.78
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
47.07
TPSA
52.6

LogP / Solubility

WLOGP
1.28
MLOGP
1.12
XLogP3
1.7
Consensus LogP
1.37
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.96

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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (95.5%): 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

Get In Touch

Contact Us