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CAS 71607-32-4 Di-p-toluoyl-D-tartaric acid monohydrate molecular structure lightbox
CAS RN: 71607-32-4

Di-p-toluoyl-D-tartaric acid monohydrate

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250611 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250131 1kg In stock Shanghai Inquiry
Batchno.20250624 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250430 500g In stock Shanghai, Tianjin Inquiry
Batchno.20250304 5g / 25g / 100g / 500g / 1kg Confirm by inquiry Shandong, Shanghai, Guangdong Inquiry
  • Product code: SSC-181182
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 500g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 71607-32-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥95% 0 Out of Stock Shanghai Inquiry

71607-32-4 / 2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;hydrate

Standard CAS: 71607-32-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71607-32-4
Multi CAS
Yes
Molecular Formula
C20H20O9
Molecular Weight
404.400000
Exact Mass
404.110732
InChI
InChI=1S/C20H18O8.H2O/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14;/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24);1H2
InChIKey
FOTRUJUPLHRVNU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
99.65
TPSA
158.7

LogP / Solubility

WLOGP
1.4
MLOGP
1.26
XLogP3
1.4
Consensus LogP
1.35
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.29
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
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)
-4.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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