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CAS 4330-21-6 2-Deoxy-alpha-D-erythropentofuranosyl chloride 3,5-bis(4-methylbenzoate) molecular structure lightbox
CAS RN: 4330-21-6

2-Deoxy-alpha-D-erythropentofuranosyl chloride 3,5-bis(4-methylbenzoate)

Product Availability

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7 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250804 100g Out of stock Inquiry
Batchno.20251217 10g In stock Shenzhen Inquiry
Batchno.20250824 1g In stock Shanghai Inquiry
Batchno.20260514 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
Batchno.20250831 250mg In stock Shanghai Inquiry
Batchno.20250522 25g Out of stock Inquiry
Batchno.20250923 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-151565
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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: 1g, 5g, 10g, 25g
  • Available purity: ≥90%
  • 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 4330-21-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥90% 0 Out of Stock Beijing Inquiry
5g ≥90% 0 Out of Stock Shanghai Inquiry
10g ≥90% 0 Out of Stock Shenzhen Inquiry
25g ≥90% 0 Out of Stock Shenzhen Inquiry

4330-21-6 / [(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate

Standard CAS: 4330-21-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4330-21-6
Multi CAS
Yes
Molecular Formula
C21H21CLO5
Molecular Weight
388.800000
Exact Mass
388.107752
InChI
InChI=1S/C21H21ClO5/c1-13-3-7-15(8-4-13)20(23)25-12-18-17(11-19(22)26-18)27-21(24)16-9-5-14(2)6-10-16/h3-10,17-19H,11-12H2,1-2H3/t17-,18+,19-/m0/s1
InChIKey
FJHSYOMVMMNQJQ-OTWHNJEPSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
100.98
TPSA
61.83

LogP / Solubility

WLOGP
4.04
MLOGP
3.58
XLogP3
4.9
Consensus LogP
4.17
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.14
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)
-2.22

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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