[email protected]
CAS 2030168-38-6 3,4-Dibromo-Mal-PEG4-t-butyl ester molecular structure lightbox
CAS RN: 2030168-38-6

3,4-Dibromo-Mal-PEG4-t-butyl ester

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250304 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2030168-38-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2030168-38-6 / tert-butyl 3-[2-[2-[2-[2-(3,4-dibromo-2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 2030168-38-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2030168-38-6
Multi CAS
No
Molecular Formula
C19H29Br2NO8
Molecular Weight
559.200000
Exact Mass
559.023940
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCN1C(=O)C(=C(C1=O)Br)Br
InChI
InChI=1S/C19H29Br2NO8/c1-19(2,3)30-14(23)4-6-26-8-10-28-12-13-29-11-9-27-7-5-22-17(24)15(20)16(21)18(22)25/h4-13H2,1-3H3
InChIKey
JOTPXNOGHQCGCY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.74
Rotatable bonds
15
H-bond acceptors
8
Molar refractivity
115.34
TPSA
100.6

LogP / Solubility

WLOGP
2.15
MLOGP
1.94
XLogP3
1.5
Consensus LogP
1.86
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.88
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.6

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us