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CAS 80822-15-7 (+)-Dibenzoyl-D-tartaric Acid Monohydrate molecular structure lightbox
CAS RN: 80822-15-7

(+)-Dibenzoyl-D-tartaric Acid Monohydrate

Product Availability

Choose a grade to view its available package options.

9 package records9 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250820 100g In stock Inquiry
Batchno.20260613 2.5kg In stock Inquiry
Batchno.20250428 25g In stock Inquiry
Batchno.20260107 500g In stock Inquiry
Batchno.20251225 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250906 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260221 100g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250610 1kg In stock Shanghai Inquiry
Batchno.20250830 500g In stock Shanghai, Shenzhen, Wuhan Inquiry
  • Product code: SSC-189470
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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: 25g, 100g, 500g
  • Available purity: ≥97%
  • 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 80822-15-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 1 In Stock Shenzhen Inquiry
100g ≥97% 0 Out of Stock Hong Kong Inquiry
500g ≥97% 0 Out of Stock Beijing Inquiry

80822-15-7 / 2,3-dibenzoyloxybutanedioic acid;hydrate

Standard CAS: 80822-15-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
80822-15-7
Multi CAS
Yes
Molecular Formula
C18H16O9
Molecular Weight
376.300000
Exact Mass
376.079432
InChI
InChI=1S/C18H14O8.H2O/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12;/h1-10,13-14H,(H,19,20)(H,21,22);1H2
InChIKey
DXDIHODZARUBLA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.11
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
90.18
TPSA
158.7

LogP / Solubility

WLOGP
0.78
MLOGP
0.71
XLogP3
0.78
Consensus LogP
0.76
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
Class (SILICOS-IT)
Poorly 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)
-4.46

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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