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CAS 40967-67-7 2-Methoxycarbonylsuccinic acid dimethyl ester molecular structure lightbox
CAS RN: 40967-67-7

2-Methoxycarbonylsuccinic acid dimethyl ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260403 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
  • Product code: SSC-149358
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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: 1g, 5g, 10g, 25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • 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 40967-67-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry
10g >95% 0 Out of Stock Beijing Inquiry
25g >95% 0 Out of Stock Shenzhen Inquiry
100g >95% 0 Out of Stock Shenzhen Inquiry

40967-67-7 / pentane-1,3,5-tricarboxylic acid

Standard CAS: 40967-67-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40967-67-7
Multi CAS
Yes
Molecular Formula
C8H12O6
Molecular Weight
204.180000
Exact Mass
204.063388
InChI
InChI=1S/C8H12O6/c1-12-6(9)4-5(7(10)13-2)8(11)14-3/h5H,4H2,1-3H3
InChIKey
CFXNPIZDNPUMFS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.62
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
3
Molar refractivity
44.87
TPSA
111.9

LogP / Solubility

WLOGP
0.42
MLOGP
0.37
XLogP3
-0.5
Consensus LogP
0.1
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.17
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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