[email protected]
CAS 40200-18-8 6-chlorohexyl acetate molecular structure lightbox
CAS RN: 40200-18-8

6-chlorohexyl acetate

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260630 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS40200-18-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

40200-18-8 / 6-chlorohexyl acetate

Standard CAS: 40200-18-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40200-18-8
Multi CAS
Yes
Molecular Formula
C8H15CLO2
Molecular Weight
178.650000
Exact Mass
178.076057
InChI
InChI=1S/C8H15ClO2/c1-8(10)11-7-5-3-2-4-6-9/h2-7H2,1H3
InChIKey
AHEBJCQIQYFSGF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
45.82
TPSA
26.3

LogP / Solubility

WLOGP
2.35
MLOGP
2.06
XLogP3
2.5
Consensus LogP
2.3
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly 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)
-2.14

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