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CAS 105484-55-7 8-CHLORO-OCTANOIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 105484-55-7

8-CHLORO-OCTANOIC ACID ETHYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260618 10g Out of stock 8-10 business days Inquiry
  • Product code: SSC-007203
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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
  • Available purity: ≥95%
  • 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 105484-55-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

105484-55-7 / ethyl 8-chlorooctanoate

Ethyl 8-chlorooctanoate | Octanoic acid, 8-chloro-, ethyl ester | DTXSID90462996

Standard CAS: 105484-55-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
105484-55-7
Multi CAS
No
Molecular Formula
C10H19ClO2
Molecular Weight
206.710000
Exact Mass
206.107358
SMILES
CCOC(=O)CCCCCCCCl
InChI
InChI=1S/C10H19ClO2/c1-2-13-10(12)8-6-4-3-5-7-9-11/h2-9H2,1H3
InChIKey
HNHPPZMCJLFGRP-UHFFFAOYSA-N
Synonyms
Ethyl 8-chlorooctanoate Octanoic acid, 8-chloro-, ethyl ester DTXSID90462996 RefChem:596055 DTXCID20413815

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
55.06
TPSA
26.3

LogP / Solubility

WLOGP
3.13
MLOGP
2.75
XLogP3
3.2
Consensus LogP
3.03
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

GHS Hazard Statements
H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501

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