CAS RN: 42749-28-0

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260402 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251106 100mg / 250mg / 1g Out of stock 15 business days Inquiry
Batchno.20250501 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260403 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251014 5g In stock Shanghai Inquiry
  • Product code: SSC-151014
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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: 0.1g, 0.25g, 1g, 5g, 10g
  • 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 42749-28-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Beijing Inquiry
5g >95% 1 In Stock Hong Kong Inquiry
10g >95% 0 Out of Stock Shenzhen Inquiry

42749-28-0 / 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate

Standard CAS: 42749-28-0 Multi CAS: No

Basic Information

CAS
42749-28-0
Multi CAS
No
Molecular Formula
C19H32O9S
Molecular Weight
436.500000
Exact Mass
436.176704
InChI
InChI=1S/C19H32O9S/c1-18-2-4-19(5-3-18)29(21,22)28-17-16-27-15-14-26-13-12-25-11-10-24-9-8-23-7-6-20/h2-5,20H,6-17H2,1H3
InChIKey
WMUDQALOCQRYOE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
19
H-bond acceptors
9
H-bond donors
1
Molar refractivity
105.5
TPSA
109.75

LogP / Solubility

WLOGP
0.78
MLOGP
0.71
Consensus LogP
0.5
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.42
Class (SILICOS-IT)
Slightly 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)
-4.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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