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CAS 21740-23-8 1-Chloro-3,5-di-(4-chlorobenzoyl)-2-deoxy-D-ribose molecular structure lightbox
CAS RN: 21740-23-8

1-Chloro-3,5-di-(4-chlorobenzoyl)-2-deoxy-D-ribose

  • Product code: SSC-104988
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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, 5g, 10g, 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 21740-23-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 4 In Stock Shenzhen Inquiry
10g ≥95% 2 In Stock Beijing Inquiry
100g ≥95% 1 In Stock Hong Kong Inquiry

21740-23-8 / [5-chloro-3-(4-chlorobenzoyl)oxyoxolan-2-yl]methyl 4-chlorobenzoate

Standard CAS: 21740-23-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21740-23-8
Multi CAS
No
Molecular Formula
C19H15Cl3O5
Molecular Weight
429.700000
Exact Mass
427.998507
SMILES
C1C(C(OC1Cl)COC(=O)C2=CC=C(C=C2)Cl)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H15Cl3O5/c20-13-5-1-11(2-6-13)18(23)25-10-16-15(9-17(22)26-16)27-19(24)12-3-7-14(21)8-4-12/h1-8,15-17H,9-10H2
InChIKey
QEHCZULNFYDPPL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
101.52
TPSA
61.83

LogP / Solubility

WLOGP
4.73
MLOGP
4.19
XLogP3
5.4
Consensus LogP
4.77
Log S (ESOL)
-5.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.98
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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