[email protected]
CAS 26040-65-3 ethyl 7-chloroheptanoate molecular structure lightbox
CAS RN: 26040-65-3

ethyl 7-chloroheptanoate

  • Product code: SSC-122873
GET A QUOTE
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: 0.05g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 26040-65-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 1 In Stock Shenzhen Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

26040-65-3 / ethyl 7-chloroheptanoate

Standard CAS: 26040-65-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26040-65-3
Multi CAS
No
Molecular Formula
C9H17ClO2
Molecular Weight
192.680000
Exact Mass
192.091708
SMILES
CCOC(=O)CCCCCCCl
InChI
InChI=1S/C9H17ClO2/c1-2-12-9(11)7-5-3-4-6-8-10/h2-8H2,1H3
InChIKey
MTVFBQCYLUWYAS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
50.44
TPSA
26.3

LogP / Solubility

WLOGP
2.74
MLOGP
2.41
XLogP3
2.6
Consensus LogP
2.58
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
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)
-1.95

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us