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CAS 1404111-69-8 5,8,11,14-Tetraoxa-2-azahexadecanoic acid, 16-[[(4-methylphenyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester molecular structure lightbox
CAS RN: 1404111-69-8

5,8,11,14-Tetraoxa-2-azahexadecanoic acid, 16-[[(4-methylphenyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester

Product Availability

Choose a grade to view its available package options.

6 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250417 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250903 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20250908 10g Out of stock Inquiry
Batchno.20250630 1g In stock Shanghai Inquiry
Batchno.20260213 250mg In stock Shanghai Inquiry
Batchno.20260205 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-051034
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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: >97%
  • Inventory rows with stock: 8
  • 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 1404111-69-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Beijing Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g -- 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g -- 1 In Stock Hong Kong Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
5g -- 1 In Stock Hong Kong Inquiry
5g >97% 1 In Stock Shanghai Inquiry
10g -- 0 Out of Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry

1404111-69-8 / 2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate

Standard CAS: 1404111-69-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1404111-69-8
Multi CAS
No
Molecular Formula
C22H37NO9S
Molecular Weight
491.600000
Exact Mass
491.218903
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCNC(=O)OC(C)(C)C
InChI
InChI=1S/C22H37NO9S/c1-19-5-7-20(8-6-19)33(25,26)31-18-17-30-16-15-29-14-13-28-12-11-27-10-9-23-21(24)32-22(2,3)4/h5-8H,9-18H2,1-4H3,(H,23,24)
InChIKey
IGDRSFOIOMFTDR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
17
H-bond acceptors
9
H-bond donors
1
Molar refractivity
121.83
TPSA
118.62

LogP / Solubility

WLOGP
2.29
MLOGP
2.05
XLogP3
1.7
Consensus LogP
2.01
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.8
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.09

Drug-likeness / Medicinal Chemistry

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

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