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CAS 2089251-47-6 Octanoic acid, 8-[(2-hydroxyethyl)[6-oxo-6-(undecyloxy)hexyl]amino]-, 1-octylnonyl ester molecular structure lightbox
CAS RN: 2089251-47-6

Octanoic acid, 8-[(2-hydroxyethyl)[6-oxo-6-(undecyloxy)hexyl]amino]-, 1-octylnonyl ester

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260604 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250826 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260315 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250814 50mg In stock Shanghai, Tianjin Inquiry
Batchno.20250130 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251219 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: SSC-098205
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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
  • Available purity: >97%
  • 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 2089251-47-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Beijing Inquiry
0.25g >97% 5 In Stock Hong Kong Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 5 In Stock Shenzhen Inquiry

2089251-47-6 / heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-undecoxyhexyl)amino]octanoate

Standard CAS: 2089251-47-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2089251-47-6
Multi CAS
No
Molecular Formula
C44H87NO5
Molecular Weight
710.200000
Exact Mass
709.658425
SMILES
CCCCCCCCCCCOC(=O)CCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCO
InChI
InChI=1S/C44H87NO5/c1-4-7-10-13-16-17-18-24-32-41-49-43(47)35-29-25-31-38-45(39-40-46)37-30-23-19-22-28-36-44(48)50-42(33-26-20-14-11-8-5-2)34-27-21-15-12-9-6-3/h42,46H,4-41H2,1-3H3
InChIKey
BGNVBNJYBVCBJH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Fraction Csp3
0.95
Rotatable bonds
41
H-bond acceptors
6
H-bond donors
1
Molar refractivity
213.75
TPSA
76.07

LogP / Solubility

WLOGP
12.67
MLOGP
11.21
XLogP3
15.5
Consensus LogP
13.13
Log S (ESOL)
-9.52
Class (ESOL)
Insoluble
Log S (Ali)
-14.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.71
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.94

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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