[email protected]
CAS 1835705-52-6 PROTAC Linker 2 molecular structure lightbox
CAS RN: 1835705-52-6

PROTAC Linker 2

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250119 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1835705-52-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1835705-52-6 / tert-butyl 6-[5-(6-chlorohexoxy)pentoxy]hexanoate

Standard CAS: 1835705-52-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1835705-52-6
Multi CAS
No
Molecular Formula
C21H41ClO4
Molecular Weight
393.000000
Exact Mass
392.269338
SMILES
CC(C)(C)OC(=O)CCCCCOCCCCCOCCCCCCCl
InChI
InChI=1S/C21H41ClO4/c1-21(2,3)26-20(23)14-8-6-11-17-25-19-13-7-12-18-24-16-10-5-4-9-15-22/h4-19H2,1-3H3
InChIKey
BCFCLXINSZPNKH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.95
Rotatable bonds
18
H-bond acceptors
4
Molar refractivity
108.99
TPSA
44.76

LogP / Solubility

WLOGP
5.89
MLOGP
5.21
XLogP3
4.9
Consensus LogP
5.33
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.26
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.93

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us