[email protected]
CAS 1426164-52-4 Bis-Mal-Lysine-PEG4-acid molecular structure lightbox
CAS RN: 1426164-52-4

Bis-Mal-Lysine-PEG4-acid

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260217 10mg In stock Inquiry
Batchno.20250115 250mg In stock Inquiry
Batchno.20260303 50mg In stock Inquiry
  • Product code: starshine_CAS1426164-52-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1426164-52-4 / 3-[2-[2-[2-[2-[2,6-bis[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

Standard CAS: 1426164-52-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1426164-52-4
Multi CAS
No
Molecular Formula
C31H45N5O13
Molecular Weight
695.700000
Exact Mass
695.301387
SMILES
C1=CC(=O)N(C1=O)CCC(=O)NCCCCC(C(=O)NCCOCCOCCOCCOCCC(=O)O)NC(=O)CCN2C(=O)C=CC2=O
InChI
InChI=1S/C31H45N5O13/c37-24(8-13-35-26(39)4-5-27(35)40)32-11-2-1-3-23(34-25(38)9-14-36-28(41)6-7-29(36)42)31(45)33-12-16-47-18-20-49-22-21-48-19-17-46-15-10-30(43)44/h4-7,23H,1-3,8-22H2,(H,32,37)(H,33,45)(H,34,38)(H,43,44)
InChIKey
RZAXBVRZUKAYCY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
49
Fraction Csp3
0.61
Rotatable bonds
28
H-bond acceptors
12
H-bond donors
4
Molar refractivity
168.28
TPSA
236.28

LogP / Solubility

WLOGP
-1.95
MLOGP
-1.66
XLogP3
-3.4
Consensus LogP
-2.34
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.92
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.35

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

Customers Also Viewed

Get In Touch

Contact Us